methyl 4-[2-(4-bromophenyl)sulfanyl-2-cyano-ethenyl]benzoate

Systemtic Name: methyl 4-[2-(4-bromophenyl)sulfanyl-2-cyano-ethenyl]benzoate Openeye Name: methyl 4-[2-(4-bromophenyl)sulfanyl-2-cyano-vinyl]benzoate CAS Name: 4-[2-[(4-bromophenyl)thio]-2-cyanoethenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(4-bromophenyl)sulfanyl-2-cyanoethenyl]benzoate Traditional Name: 4-[2-[(4-bromophenyl)thio]-2-cyano-vinyl]benzoic acid methyl ester Formula: C17H12BrNO2S MolecularWeight: 374.25168

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=C(C#N)SC2=CC=C(C=C2)Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C=C(C#N)SC2=CC=C(C=C2)Br

InChI

InChI=1S/C17H12BrNO2S/c1-21-17(20)13-4-2-12(3-5-13)10-16(11-19)22-15-8-6-14(18)7-9-15/h2-10H,1H3