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

Systemtic Name: 2-methyl-N-[[5-[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]methyl]-3-nitro-benzamide Openeye Name: N-[[4-benzyl-5-[2-oxo-2-[3-(p-tolyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-methyl-3-nitro-benzamide CAS Name: 2-methyl-N-[[5-[[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]-4-(phenylmethyl)-1,2,4-triazol-3-yl]methyl]-3-nitrobenzamide IUPAC Name: N-[[4-benzyl-5-[2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[[4-benzyl-5-[[2-keto-2-[5-(p-tolyl)-3-(2-thienyl)-2-pyrazolin-1-yl]ethyl]thio]-1,2,4-triazol-3-yl]methyl]-2-methyl-3-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(N3CC4=CC=CC=C4)CNC(=O)C5=C(C(=CC=C5)[N+](=O)[O-])C)C6=CC=CS6

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NN=C(N3CC4=CC=CC=C4)CNC(=O)C5=C(C(=CC=C5)[N+](=O)[O-])C)C6=CC=CS6

InChI

InChI=1S/C34H31N7O4S2/c1-22-13-15-25(16-14-22)29-18-27(30-12-7-17-46-30)38-40(29)32(42)21-47-34-37-36-31(39(34)20-24-8-4-3-5-9-24)19-35-33(43)26-10-6-11-28(23(26)2)41(44)45/h3-17,29H,18-21H2,1-2H3,(H,35,43)