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

Systemtic Name: 4-butyl-N-[[4-(4-methylphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: N-[[5-benzylsulfanyl-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]-4-butyl-benzamide CAS Name: 4-butyl-N-[[4-(4-methylphenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: N-[[5-benzylsulfanyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-4-butylbenzamide Traditional Name: N-[[5-(benzylthio)-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]-4-butyl-benzamide Formula: C28H30N4OS MolecularWeight: 470.629

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)C)SCC4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)C)SCC4=CC=CC=C4

InChI

InChI=1S/C28H30N4OS/c1-3-4-8-22-13-15-24(16-14-22)27(33)29-19-26-30-31-28(34-20-23-9-6-5-7-10-23)32(26)25-17-11-21(2)12-18-25/h5-7,9-18H,3-4,8,19-20H2,1-2H3,(H,29,33)