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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)NC(C)C2=NN=C(N2C3=CC=C(C=C3)C)SCC4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)NC(C)C2=NN=C(N2C3=CC=C(C=C3)C)SCC4=CC=CC=C4

InChI

InChI=1S/C29H32N4OS/c1-4-5-9-23-14-16-25(17-15-23)28(34)30-22(3)27-31-32-29(35-20-24-10-7-6-8-11-24)33(27)26-18-12-21(2)13-19-26/h6-8,10-19,22H,4-5,9,20H2,1-3H3,(H,30,34)