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

Systemtic Name: N-[[4-(4-methylphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4-pentyl-benzamide Openeye Name: N-[[5-benzylsulfanyl-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]-4-pentyl-benzamide CAS Name: N-[[4-(4-methylphenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]-4-pentylbenzamide IUPAC Name: N-[[5-benzylsulfanyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-4-pentylbenzamide Traditional Name: 4-amyl-N-[[5-(benzylthio)-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]benzamide Formula: C29H32N4OS MolecularWeight: 484.65558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)C)SCC4=CC=CC=C4

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)C)SCC4=CC=CC=C4

InChI

InChI=1S/C29H32N4OS/c1-3-4-6-9-23-14-16-25(17-15-23)28(34)30-20-27-31-32-29(35-21-24-10-7-5-8-11-24)33(27)26-18-12-22(2)13-19-26/h5,7-8,10-19H,3-4,6,9,20-21H2,1-2H3,(H,30,34)