(1-phenyl-1,2,3,4-tetrazol-5-yl) (1Z)-N-[(4-bromophenyl)amino]-2-oxidanylidene-propanimidothioate

Systemtic Name: (1-phenyl-1,2,3,4-tetrazol-5-yl) (1Z)-N-[(4-bromophenyl)amino]-2-oxidanylidene-propanimidothioate Openeye Name: (1-phenyltetrazol-5-yl) (1Z)-N-(4-bromoanilino)-2-oxo-propanimidothioate CAS Name: (1Z)-N-(4-bromoanilino)-2-oxopropanimidothioic acid (1-phenyl-5-tetrazolyl) ester IUPAC Name: (1-phenyltetrazol-5-yl) (1Z)-N-(4-bromoanilino)-2-oxopropanimidothioate Traditional Name: (1Z)-N-(4-bromoanilino)-2-keto-thiopropionimidic acid (1-phenyltetrazol-5-yl) ester Formula: C16H13BrN6OS MolecularWeight: 417.28302

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=NNC1=CC=C(C=C1)Br)SC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CC(=O)/C(=N/NC1=CC=C(C=C1)Br)/SC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C16H13BrN6OS/c1-11(24)15(19-18-13-9-7-12(17)8-10-13)25-16-20-21-22-23(16)14-5-3-2-4-6-14/h2-10,18H,1H3/b19-15-