(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-(4-bromophenyl)sulfanylethanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-(4-bromophenyl)sulfanylethanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-(4-bromophenyl)sulfanylacetate CAS Name: 2-[(4-bromophenyl)thio]acetic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-(4-bromophenyl)sulfanylacetate Traditional Name: 2-[(4-bromophenyl)thio]acetic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C14H13BrN2O3S MolecularWeight: 369.23362

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)CSC1=CC=C(C=C1)Br

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)CSC1=CC=C(C=C1)Br

InChI

InChI=1S/C14H13BrN2O3S/c1-9(17)12(6-16)13(18)7-20-14(19)8-21-11-4-2-10(15)3-5-11/h2-5,12,17H,7-8H2,1H3