N-[[5-[2-[5-(4-bromophenyl)-3-(4-fluorophenyl)-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-[5-(4-bromophenyl)-3-(4-fluorophenyl)-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-[5-(4-bromophenyl)-3-(4-fluorophenyl)-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-[5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-3-methoxybenzamide IUPAC Name: N-[[5-[2-[5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-3-methoxybenzamide Traditional Name: N-[[5-[[2-[3-(4-bromophenyl)-5-(4-fluorophenyl)-2-pyrazolin-1-yl]-2-keto-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-3-methoxy-benzamide Formula: C29H26BrFN6O3S MolecularWeight: 637.522543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H26BrFN6O3S/c1-36-26(16-32-28(39)20-4-3-5-23(14-20)40-2)33-34-29(36)41-17-27(38)37-25(19-8-12-22(31)13-9-19)15-24(35-37)18-6-10-21(30)11-7-18/h3-14,25H,15-17H2,1-2H3,(H,32,39)