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

Systemtic Name: N-[[5-[2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-4-nitro-benzamide Openeye Name: N-[[5-[2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-4-nitro-benzamide CAS Name: N-[[5-[[2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-nitrobenzamide IUPAC Name: N-[[5-[2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-4-nitrobenzamide Traditional Name: N-[[5-[[2-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-2-pyrazolin-1-yl]-2-keto-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-nitro-benzamide Formula: C29H26FN7O5S MolecularWeight: 603.624043

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N2C(CC(=N2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)F)CNC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N2C(CC(=N2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)F)CNC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H26FN7O5S/c1-35-26(16-31-28(39)20-5-11-22(12-6-20)37(40)41)32-33-29(35)43-17-27(38)36-25(19-3-9-21(30)10-4-19)15-24(34-36)18-7-13-23(42-2)14-8-18/h3-14,25H,15-17H2,1-2H3,(H,31,39)