N-[[4-(3-chlorophenyl)-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-(3-chlorophenyl)-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-(3-chlorophenyl)-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-(3-chlorophenyl)-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-(3-chlorophenyl)-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-(3-chlorophenyl)-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: C31H23ClFN7O4S2 MolecularWeight: 676.140223

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CS2)C(=O)CSC3=NN=C(N3C4=CC(=CC=C4)Cl)CNC(=O)C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=C(C=C6)F

Isomeric SMILES

C1C(N(N=C1C2=CC=CS2)C(=O)CSC3=NN=C(N3C4=CC(=CC=C4)Cl)CNC(=O)C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=C(C=C6)F

InChI

InChI=1S/C31H23ClFN7O4S2/c32-21-3-1-4-24(15-21)38-28(17-34-30(42)20-8-12-23(13-9-20)40(43)44)35-36-31(38)46-18-29(41)39-26(19-6-10-22(33)11-7-19)16-25(37-39)27-5-2-14-45-27/h1-15,26H,16-18H2,(H,34,42)