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

Systemtic Name: 2-[(4-azanyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-methylphenyl)methyl]ethanamide Openeye Name: 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(o-tolylmethyl)acetamide CAS Name: 2-[(4-amino-1,2,4-triazol-3-yl)thio]-N-[(2-methylphenyl)methyl]acetamide IUPAC Name: 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-methylphenyl)methyl]acetamide Traditional Name: 2-[(4-amino-1,2,4-triazol-3-yl)thio]-N-(2-methylbenzyl)acetamide Formula: C12H15N5OS MolecularWeight: 277.3454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)CSC2=NN=CN2N

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)CSC2=NN=CN2N

InChI

InChI=1S/C12H15N5OS/c1-9-4-2-3-5-10(9)6-14-11(18)7-19-12-16-15-8-17(12)13/h2-5,8H,6-7,13H2,1H3,(H,14,18)