N-[[4-(2,5-dimethylphenyl)-5-[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-nitro-benzamide

Systemtic Name: N-[[4-(2,5-dimethylphenyl)-5-[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-nitro-benzamide Openeye Name: N-[[4-(2,5-dimethylphenyl)-5-[2-oxo-2-[3-(p-tolyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-nitro-benzamide CAS Name: N-[[4-(2,5-dimethylphenyl)-5-[[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]-1,2,4-triazol-3-yl]methyl]-4-nitrobenzamide IUPAC Name: N-[[4-(2,5-dimethylphenyl)-5-[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-nitrobenzamide Traditional Name: N-[[4-(2,5-dimethylphenyl)-5-[[2-keto-2-[5-(p-tolyl)-3-(2-thienyl)-2-pyrazolin-1-yl]ethyl]thio]-1,2,4-triazol-3-yl]methyl]-4-nitro-benzamide Formula: C34H31N7O4S2 MolecularWeight: 665.78444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NN=C(N3C4=C(C=CC(=C4)C)C)CNC(=O)C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=CS6

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NN=C(N3C4=C(C=CC(=C4)C)C)CNC(=O)C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=CS6

InChI

InChI=1S/C34H31N7O4S2/c1-21-7-10-24(11-8-21)29-18-27(30-5-4-16-46-30)38-40(29)32(42)20-47-34-37-36-31(39(34)28-17-22(2)6-9-23(28)3)19-35-33(43)25-12-14-26(15-13-25)41(44)45/h4-17,29H,18-20H2,1-3H3,(H,35,43)