N-[[5-[2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-2-phenyl-ethanamide

Systemtic Name: N-[[5-[2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-2-phenyl-ethanamide Openeye Name: N-[[5-[2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-2-phenyl-acetamide CAS Name: N-[[5-[[2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide IUPAC Name: N-[[5-[2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide Traditional Name: N-[[5-[[2-[3,5-bis(4-methoxyphenyl)-2-pyrazolin-1-yl]-2-keto-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-2-phenyl-acetamide Formula: C31H32N6O4S MolecularWeight: 584.68858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N2C(CC(=N2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)CNC(=O)CC5=CC=CC=C5

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N2C(CC(=N2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)CNC(=O)CC5=CC=CC=C5

InChI

InChI=1S/C31H32N6O4S/c1-36-28(19-32-29(38)17-21-7-5-4-6-8-21)33-34-31(36)42-20-30(39)37-27(23-11-15-25(41-3)16-12-23)18-26(35-37)22-9-13-24(40-2)14-10-22/h4-16,27H,17-20H2,1-3H3,(H,32,38)