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

Systemtic Name: 2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-yl-ethanamide Openeye Name: N-(1-naphthyl)-2-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-(1-naphthalenyl)acetamide IUPAC Name: 2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide Traditional Name: N-(1-naphthyl)-2-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C27H22N4OS MolecularWeight: 450.55478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C27H22N4OS/c1-19-14-16-22(17-15-19)31-26(21-9-3-2-4-10-21)29-30-27(31)33-18-25(32)28-24-13-7-11-20-8-5-6-12-23(20)24/h2-17H,18H2,1H3,(H,28,32)