O-ethyl [5-(4-bromophenyl)-1-cyano-5-oxidanylidene-pentan-2-yl]sulfanylmethanethioate

Systemtic Name: O-ethyl [5-(4-bromophenyl)-1-cyano-5-oxidanylidene-pentan-2-yl]sulfanylmethanethioate Openeye Name: O-ethyl [4-(4-bromophenyl)-1-(cyanomethyl)-4-oxo-butyl]sulfanylmethanethioate CAS Name: [[5-(4-bromophenyl)-1-cyano-5-oxopentan-2-yl]thio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl [5-(4-bromophenyl)-1-cyano-5-oxopentan-2-yl]sulfanylmethanethioate Traditional Name: [[4-(4-bromophenyl)-1-(cyanomethyl)-4-keto-butyl]thio]methanethioic acid O-ethyl ester Formula: C15H16BrNO2S2 MolecularWeight: 386.32704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC(CCC(=O)C1=CC=C(C=C1)Br)CC#N

Isomeric SMILES

CCOC(=S)SC(CCC(=O)C1=CC=C(C=C1)Br)CC#N

InChI

InChI=1S/C15H16BrNO2S2/c1-2-19-15(20)21-13(9-10-17)7-8-14(18)11-3-5-12(16)6-4-11/h3-6,13H,2,7-9H2,1H3