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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=CC(=CC=C1)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=CC5=CC=CC=C54

InChI

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