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

Systemtic Name: (4-methyl-1,2,4-triazol-3-yl) (1Z)-N-[(4-bromophenyl)amino]-2-oxidanylidene-propanimidothioate Openeye Name: (4-methyl-1,2,4-triazol-3-yl) (1Z)-N-(4-bromoanilino)-2-oxo-propanimidothioate CAS Name: (1Z)-N-(4-bromoanilino)-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-bromoanilino)-2-oxopropanimidothioate Traditional Name: (1Z)-N-(4-bromoanilino)-2-keto-thiopropionimidic acid (4-methyl-1,2,4-triazol-3-yl) ester Formula: C12H12BrN5OS MolecularWeight: 354.22558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12BrN5OS/c1-8(19)11(20-12-17-14-7-18(12)2)16-15-10-5-3-9(13)4-6-10/h3-7,15H,1-2H3/b16-11-