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

Systemtic Name: 2-[[5-[[(3-methylphenyl)amino]methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-yl-N-phenyl-ethanamide Openeye Name: 2-[[5-[(3-methylanilino)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-naphthyl)-N-phenyl-acetamide CAS Name: 2-[[5-[(3-methylanilino)methyl]-1H-1,2,4-triazol-3-yl]thio]-N-(2-naphthalenyl)-N-phenylacetamide IUPAC Name: 2-[[5-[(3-methylanilino)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-yl-N-phenylacetamide Traditional Name: 2-[[5-(m-toluidinomethyl)-1H-1,2,4-triazol-3-yl]thio]-N-(2-naphthyl)-N-phenyl-acetamide Formula: C28H25N5OS MolecularWeight: 479.596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NCC2=NC(=NN2)SCC(=O)N(C3=CC=CC=C3)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC1=CC(=CC=C1)NCC2=NC(=NN2)SCC(=O)N(C3=CC=CC=C3)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C28H25N5OS/c1-20-8-7-11-23(16-20)29-18-26-30-28(32-31-26)35-19-27(34)33(24-12-3-2-4-13-24)25-15-14-21-9-5-6-10-22(21)17-25/h2-17,29H,18-19H2,1H3,(H,30,31,32)