4-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)butanamide

Systemtic Name: 4-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)butanamide Openeye Name: N-(1-phenylethyl)-4-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide CAS Name: 4-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-(1-phenylethyl)butanamide IUPAC Name: 4-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)butanamide Traditional Name: N-(1-phenylethyl)-4-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]butyramide Formula: C27H28N4OS MolecularWeight: 456.60242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCCCC(=O)NC(C)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCCCC(=O)NC(C)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H28N4OS/c1-20-15-17-24(18-16-20)31-26(23-12-7-4-8-13-23)29-30-27(31)33-19-9-14-25(32)28-21(2)22-10-5-3-6-11-22/h3-8,10-13,15-18,21H,9,14,19H2,1-2H3,(H,28,32)