(4-methyl-1,2,4-triazol-3-yl) (1E)-2-oxidanylidene-N-phenylazanyl-propanimidothioate

Systemtic Name: (4-methyl-1,2,4-triazol-3-yl) (1E)-2-oxidanylidene-N-phenylazanyl-propanimidothioate Openeye Name: (4-methyl-1,2,4-triazol-3-yl) (1E)-N-anilino-2-oxo-propanimidothioate CAS Name: (1E)-N-anilino-2-oxopropanimidothioic acid (4-methyl-1,2,4-triazol-3-yl) ester IUPAC Name: (4-methyl-1,2,4-triazol-3-yl) (1E)-N-anilino-2-oxopropanimidothioate Traditional Name: (1E)-N-anilino-2-keto-thiopropionimidic acid (4-methyl-1,2,4-triazol-3-yl) ester Formula: C12H13N5OS MolecularWeight: 275.32952

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=NNC1=CC=CC=C1)SC2=NN=CN2C

Isomeric SMILES

CC(=O)/C(=N\NC1=CC=CC=C1)/SC2=NN=CN2C

InChI

InChI=1S/C12H13N5OS/c1-9(18)11(19-12-16-13-8-17(12)2)15-14-10-6-4-3-5-7-10/h3-8,14H,1-2H3/b15-11+