4-(dimethylsulfamoyl)-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]benzamide

Systemtic Name: 4-(dimethylsulfamoyl)-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]benzamide Openeye Name: 4-(dimethylsulfamoyl)-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]benzamide CAS Name: 4-(dimethylsulfamoyl)-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]benzamide IUPAC Name: 4-(dimethylsulfamoyl)-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]benzamide Traditional Name: 4-(dimethylsulfamoyl)-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]benzamide Formula: C28H28FN7O4S3 MolecularWeight: 641.759823

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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=C(C=C5)S(=O)(=O)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C28H28FN7O4S3/c1-34(2)43(39,40)21-12-8-19(9-13-21)27(38)30-16-25-31-32-28(35(25)3)42-17-26(37)36-23(18-6-10-20(29)11-7-18)15-22(33-36)24-5-4-14-41-24/h4-14,23H,15-17H2,1-3H3,(H,30,38)