N-[[4-(4-methylphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2-thiophen-2-yl-ethanamide

Systemtic Name: N-[[4-(4-methylphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2-thiophen-2-yl-ethanamide Openeye Name: N-[[5-benzylsulfanyl-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]-2-(2-thienyl)acetamide CAS Name: N-[[4-(4-methylphenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]-2-thiophen-2-ylacetamide IUPAC Name: N-[[5-benzylsulfanyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-2-thiophen-2-ylacetamide Traditional Name: N-[[5-(benzylthio)-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]-2-(2-thienyl)acetamide Formula: C23H22N4OS2 MolecularWeight: 434.57698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)CNC(=O)CC4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)CNC(=O)CC4=CC=CS4

InChI

InChI=1S/C23H22N4OS2/c1-17-9-11-19(12-10-17)27-21(15-24-22(28)14-20-8-5-13-29-20)25-26-23(27)30-16-18-6-3-2-4-7-18/h2-13H,14-16H2,1H3,(H,24,28)