1-(4-cyclohexylphenyl)-2-[[4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-cyclohexylphenyl)-2-[[4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-cyclohexylphenyl)-2-[[4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-cyclohexylphenyl)-2-[[4-phenyl-5-[3-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-cyclohexylphenyl)-2-[[4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-cyclohexylphenyl)-2-[[4-phenyl-5-(3-pyrrolidinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C32H34N4O3S2 MolecularWeight: 586.76736

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC(=CC=C5)S(=O)(=O)N6CCCC6

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC(=CC=C5)S(=O)(=O)N6CCCC6

InChI

InChI=1S/C32H34N4O3S2/c37-30(26-18-16-25(17-19-26)24-10-3-1-4-11-24)23-40-32-34-33-31(36(32)28-13-5-2-6-14-28)27-12-9-15-29(22-27)41(38,39)35-20-7-8-21-35/h2,5-6,9,12-19,22,24H,1,3-4,7-8,10-11,20-21,23H2