ethyl (2E)-2-[(4-bromophenyl)hydrazinylidene]-3-oxidanylidene-4-thiocyanato-butanoate

Systemtic Name: ethyl (2E)-2-[(4-bromophenyl)hydrazinylidene]-3-oxidanylidene-4-thiocyanato-butanoate Openeye Name: ethyl (2E)-2-[(4-bromophenyl)hydrazono]-3-oxo-4-thiocyanato-butanoate CAS Name: (2E)-2-[(4-bromophenyl)hydrazinylidene]-3-oxo-4-thiocyanatobutanoic acid ethyl ester IUPAC Name: ethyl (2E)-2-[(4-bromophenyl)hydrazinylidene]-3-oxo-4-thiocyanatobutanoate Traditional Name: (2E)-2-[(4-bromophenyl)hydrazono]-3-keto-4-thiocyanato-butyric acid ethyl ester Formula: C13H12BrN3O3S MolecularWeight: 370.22168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=NNC1=CC=C(C=C1)Br)C(=O)CSC#N

Isomeric SMILES

CCOC(=O)/C(=N/NC1=CC=C(C=C1)Br)/C(=O)CSC#N

InChI

InChI=1S/C13H12BrN3O3S/c1-2-20-13(19)12(11(18)7-21-8-15)17-16-10-5-3-9(14)4-6-10/h3-6,16H,2,7H2,1H3/b17-12+