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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=NC(=NN2)SCC(=O)NC3=CC=CC=C3)N

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=NC(=NN2)SCC(=O)NC3=CC=CC=C3)N

InChI

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