ethyl 4-(4-bromophenyl)-5-cyano-2-methyl-6-sulfanylidene-1H-pyridine-3-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)-5-cyano-2-methyl-6-sulfanylidene-1H-pyridine-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-5-cyano-2-methyl-6-thioxo-1H-pyridine-3-carboxylate CAS Name: 4-(4-bromophenyl)-5-cyano-2-methyl-6-sulfanylidene-1H-pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-5-cyano-2-methyl-6-sulfanylidene-1H-pyridine-3-carboxylate Traditional Name: 4-(4-bromophenyl)-5-cyano-2-methyl-6-thioxo-1H-pyridine-3-carboxylic acid ethyl ester Formula: C16H13BrN2O2S MolecularWeight: 377.25562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)C(=C1C2=CC=C(C=C2)Br)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)C(=C1C2=CC=C(C=C2)Br)C#N)C

InChI

InChI=1S/C16H13BrN2O2S/c1-3-21-16(20)13-9(2)19-15(22)12(8-18)14(13)10-4-6-11(17)7-5-10/h4-7H,3H2,1-2H3,(H,19,22)