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

Systemtic Name: N-[[5-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-3-methoxy-benzamide Openeye Name: N-[[5-[2-[3-(4-fluorophenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-3-methoxy-benzamide CAS Name: N-[[5-[[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-3-methoxybenzamide IUPAC Name: N-[[5-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-3-methoxybenzamide Traditional Name: N-[[5-[[2-[5-(4-fluorophenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-3-methoxy-benzamide Formula: C27H25FN6O3S2 MolecularWeight: 564.654203

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=C(C=C4)F)CNC(=O)C5=CC(=CC=C5)OC

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=C(C=C4)F)CNC(=O)C5=CC(=CC=C5)OC

InChI

InChI=1S/C27H25FN6O3S2/c1-33-24(15-29-26(36)18-5-3-6-20(13-18)37-2)30-31-27(33)39-16-25(35)34-22(17-8-10-19(28)11-9-17)14-21(32-34)23-7-4-12-38-23/h3-13,22H,14-16H2,1-2H3,(H,29,36)