N-[[4-(2,3-dimethylphenyl)-5-[2-[3-(4-fluorophenyl)-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-(2,3-dimethylphenyl)-5-[2-[3-(4-fluorophenyl)-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-(2,3-dimethylphenyl)-5-[2-[3-(4-fluorophenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-nitro-benzamide CAS Name: N-[[4-(2,3-dimethylphenyl)-5-[[2-[3-(4-fluorophenyl)-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-(2,3-dimethylphenyl)-5-[2-[3-(4-fluorophenyl)-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-(2,3-dimethylphenyl)-5-[[2-[5-(4-fluorophenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]methyl]-4-nitro-benzamide Formula: C33H28FN7O4S2 MolecularWeight: 669.748323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=NN=C2SCC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=C(C=C5)F)CNC(=O)C6=CC=C(C=C6)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=NN=C2SCC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=C(C=C5)F)CNC(=O)C6=CC=C(C=C6)[N+](=O)[O-])C

InChI

InChI=1S/C33H28FN7O4S2/c1-20-5-3-6-27(21(20)2)39-30(18-35-32(43)23-10-14-25(15-11-23)41(44)45)36-37-33(39)47-19-31(42)40-28(22-8-12-24(34)13-9-22)17-26(38-40)29-7-4-16-46-29/h3-16,28H,17-19H2,1-2H3,(H,35,43)