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

Systemtic Name: 4-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-butanamide Openeye Name: N-phenethyl-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-phenethylbutanamide IUPAC Name: 4-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylbutanamide Traditional Name: N-phenethyl-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)NCCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCCCC(=O)NCCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H28N4OS/c1-21-14-16-24(17-15-21)31-26(23-11-6-3-7-12-23)29-30-27(31)33-20-8-13-25(32)28-19-18-22-9-4-2-5-10-22/h2-7,9-12,14-17H,8,13,18-20H2,1H3,(H,28,32)