(4-methyl-1,2,4-triazol-3-yl) (1Z)-N-[(4-methylphenyl)amino]-2-oxidanylidene-propanimidothioate

Systemtic Name: (4-methyl-1,2,4-triazol-3-yl) (1Z)-N-[(4-methylphenyl)amino]-2-oxidanylidene-propanimidothioate Openeye Name: (4-methyl-1,2,4-triazol-3-yl) (1Z)-N-(4-methylanilino)-2-oxo-propanimidothioate CAS Name: (1Z)-N-(4-methylanilino)-2-oxopropanimidothioic acid (4-methyl-1,2,4-triazol-3-yl) ester IUPAC Name: (4-methyl-1,2,4-triazol-3-yl) (1Z)-N-(4-methylanilino)-2-oxopropanimidothioate Traditional Name: (1Z)-2-keto-N-(p-toluidino)thiopropionimidic acid (4-methyl-1,2,4-triazol-3-yl) ester Formula: C13H15N5OS MolecularWeight: 289.3561

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NN=C(C(=O)C)SC2=NN=CN2C

Isomeric SMILES

CC1=CC=C(C=C1)N/N=C(/C(=O)C)\SC2=NN=CN2C

InChI

InChI=1S/C13H15N5OS/c1-9-4-6-11(7-5-9)15-16-12(10(2)19)20-13-17-14-8-18(13)3/h4-8,15H,1-3H3/b16-12-