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

Systemtic Name: 2-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[5-(m-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[5-(m-tolyl)-1H-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C19H20N4OS MolecularWeight: 352.4533

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=NN2)SCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=NN2)SCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C19H20N4OS/c1-14-6-5-9-16(12-14)18-21-19(23-22-18)25-13-17(24)20-11-10-15-7-3-2-4-8-15/h2-9,12H,10-11,13H2,1H3,(H,20,24)(H,21,22,23)