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

Systemtic Name: 2-[[5-[[(4-methylphenyl)amino]methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[5-[(4-methylanilino)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[5-[(4-methylanilino)methyl]-1H-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[5-[(4-methylanilino)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: N-phenyl-2-[[5-(p-toluidinomethyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H19N5OS MolecularWeight: 353.44136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NCC2=NC(=NN2)SCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NCC2=NC(=NN2)SCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C18H19N5OS/c1-13-7-9-14(10-8-13)19-11-16-21-18(23-22-16)25-12-17(24)20-15-5-3-2-4-6-15/h2-10,19H,11-12H2,1H3,(H,20,24)(H,21,22,23)