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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)CSC2=NN=CN2N

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)CSC2=NN=CN2N

InChI

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