2-[[5-(4-chlorophenyl)-4-[[[[3-(4-chlorophenyl)-5-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-4-yl]amino]-(2-methyl-1H-indol-3-yl)methyl]amino]-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-[[[[3-(4-chlorophenyl)-5-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-4-yl]amino]-(2-methyl-1H-indol-3-yl)methyl]amino]-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone Openeye Name: 2-[[5-(4-chlorophenyl)-4-[[[[3-(4-chlorophenyl)-5-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-1,2,4-triazol-4-yl]amino]-(2-methyl-1H-indol-3-yl)methyl]amino]-1,2,4-triazol-3-yl]sulfanyl]-1-(p-tolyl)ethanone CAS Name: 2-[[5-(4-chlorophenyl)-4-[[[[3-(4-chlorophenyl)-5-[[2-(4-methylphenyl)-2-oxoethyl]thio]-1,2,4-triazol-4-yl]amino]-(2-methyl-1H-indol-3-yl)methyl]amino]-1,2,4-triazol-3-yl]thio]-1-(4-methylphenyl)ethanone IUPAC Name: 2-[[5-(4-chlorophenyl)-4-[[[[3-(4-chlorophenyl)-5-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-4-yl]amino]-(2-methyl-1H-indol-3-yl)methyl]amino]-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone Traditional Name: 2-[[5-(4-chlorophenyl)-4-[[[[3-(4-chlorophenyl)-5-[[2-keto-2-(p-tolyl)ethyl]thio]-1,2,4-triazol-4-yl]amino]-(2-methyl-1H-indol-3-yl)methyl]amino]-1,2,4-triazol-3-yl]thio]-1-(p-tolyl)ethanone Formula: C44H37Cl2N9O2S2 MolecularWeight: 858.85968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2NC(C3=C(NC4=CC=CC=C43)C)NN5C(=NN=C5SCC(=O)C6=CC=C(C=C6)C)C7=CC=C(C=C7)Cl)C8=CC=C(C=C8)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2NC(C3=C(NC4=CC=CC=C43)C)NN5C(=NN=C5SCC(=O)C6=CC=C(C=C6)C)C7=CC=C(C=C7)Cl)C8=CC=C(C=C8)Cl

InChI

InChI=1S/C44H37Cl2N9O2S2/c1-26-8-12-29(13-9-26)37(56)24-58-43-50-48-41(31-16-20-33(45)21-17-31)54(43)52-40(39-28(3)47-36-7-5-4-6-35(36)39)53-55-42(32-18-22-34(46)23-19-32)49-51-44(55)59-25-38(57)30-14-10-27(2)11-15-30/h4-23,40,47,52-53H,24-25H2,1-3H3