5-bromanyl-N-[(3-methoxyphenyl)carbamothioyl]pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-[(3-methoxyphenyl)carbamothioyl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[(3-methoxyphenyl)carbamothioyl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[(3-methoxyanilino)-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[(3-methoxyphenyl)carbamothioyl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[(3-methoxyphenyl)thiocarbamoyl]nicotinamide Formula: C14H12BrN3O2S MolecularWeight: 366.23298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C14H12BrN3O2S/c1-20-12-4-2-3-11(6-12)17-14(21)18-13(19)9-5-10(15)8-16-7-9/h2-8H,1H3,(H2,17,18,19,21)