(2-bromophenyl)methyl 6-sulfanylidene-1H-pyridine-2-carboxylate

Systemtic Name: (2-bromophenyl)methyl 6-sulfanylidene-1H-pyridine-2-carboxylate Openeye Name: (2-bromophenyl)methyl 6-thioxo-1H-pyridine-2-carboxylate CAS Name: 6-sulfanylidene-1H-pyridine-2-carboxylic acid (2-bromophenyl)methyl ester IUPAC Name: (2-bromophenyl)methyl 6-sulfanylidene-1H-pyridine-2-carboxylate Traditional Name: 6-thioxo-1H-pyridine-2-carboxylic acid (2-bromobenzyl) ester Formula: C13H10BrNO2S MolecularWeight: 324.193

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC(=O)C2=CC=CC(=S)N2)Br

Isomeric SMILES

C1=CC=C(C(=C1)COC(=O)C2=CC=CC(=S)N2)Br

InChI

InChI=1S/C13H10BrNO2S/c14-10-5-2-1-4-9(10)8-17-13(16)11-6-3-7-12(18)15-11/h1-7H,8H2,(H,15,18)