S-[3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-cyano-2-oxidanylidene-propyl] ethanethioate

Systemtic Name: S-[3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-cyano-2-oxidanylidene-propyl] ethanethioate Openeye Name: S-[3-[4-(4-bromophenyl)thiazol-2-yl]-3-cyano-2-oxo-propyl] ethanethioate CAS Name: ethanethioic acid S-[3-[4-(4-bromophenyl)-2-thiazolyl]-3-cyano-2-oxopropyl] ester IUPAC Name: S-[3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-cyano-2-oxopropyl] ethanethioate Traditional Name: ethanethioic acid S-[3-[4-(4-bromophenyl)thiazol-2-yl]-3-cyano-2-keto-propyl] ester Formula: C15H11BrN2O2S2 MolecularWeight: 395.29404

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)C(C#N)C1=NC(=CS1)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(=O)SCC(=O)C(C#N)C1=NC(=CS1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C15H11BrN2O2S2/c1-9(19)21-8-14(20)12(6-17)15-18-13(7-22-15)10-2-4-11(16)5-3-10/h2-5,7,12H,8H2,1H3