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

Systemtic Name: 2-[(4-azanyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)ethanamide Openeye Name: 2-[[4-amino-5-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(o-tolyl)acetamide CAS Name: 2-[[4-amino-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[(4-amino-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide Traditional Name: 2-[[4-amino-5-(2-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(o-tolyl)acetamide Formula: C16H16N6OS MolecularWeight: 340.40284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CSC2=NN=C(N2N)C3=CC=CC=N3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CSC2=NN=C(N2N)C3=CC=CC=N3

InChI

InChI=1S/C16H16N6OS/c1-11-6-2-3-7-12(11)19-14(23)10-24-16-21-20-15(22(16)17)13-8-4-5-9-18-13/h2-9H,10,17H2,1H3,(H,19,23)