N-[[5-[2-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-3,5-dimethoxy-benzamide

Systemtic Name: N-[[5-[2-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-3,5-dimethoxy-benzamide Openeye Name: N-[[5-[2-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-3,5-dimethoxy-benzamide CAS Name: N-[[5-[[2-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-3,5-dimethoxybenzamide IUPAC Name: N-[[5-[2-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-3,5-dimethoxybenzamide Traditional Name: N-[[5-[[2-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-2-pyrazolin-1-yl]-2-keto-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-3,5-dimethoxy-benzamide Formula: C31H31BrN6O5S MolecularWeight: 679.58404

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N2C(CC(=N2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)OC)CNC(=O)C5=CC(=CC(=C5)OC)OC

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N2C(CC(=N2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)OC)CNC(=O)C5=CC(=CC(=C5)OC)OC

InChI

InChI=1S/C31H31BrN6O5S/c1-37-28(17-33-30(40)21-13-24(42-3)15-25(14-21)43-4)34-35-31(37)44-18-29(39)38-27(20-7-11-23(41-2)12-8-20)16-26(36-38)19-5-9-22(32)10-6-19/h5-15,27H,16-18H2,1-4H3,(H,33,40)