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

Systemtic Name: 4-butoxy-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-butoxy-benzamide CAS Name: 4-butoxy-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-butoxybenzamide Traditional Name: N-[[5-(benzylthio)-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]-4-butoxy-benzamide Formula: C28H30N4O2S MolecularWeight: 486.6284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)C)SCC4=CC=CC=C4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)C)SCC4=CC=CC=C4

InChI

InChI=1S/C28H30N4O2S/c1-3-4-18-34-25-16-12-23(13-17-25)27(33)29-19-26-30-31-28(35-20-22-8-6-5-7-9-22)32(26)24-14-10-21(2)11-15-24/h5-17H,3-4,18-20H2,1-2H3,(H,29,33)