5-bromanyl-N-[(2-methylphenyl)carbamothioyl]pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-[(2-methylphenyl)carbamothioyl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-(o-tolylcarbamothioyl)pyridine-3-carboxamide CAS Name: 5-bromo-N-[(2-methylanilino)-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[(2-methylphenyl)carbamothioyl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-(o-tolylthiocarbamoyl)nicotinamide Formula: C14H12BrN3OS MolecularWeight: 350.23358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C14H12BrN3OS/c1-9-4-2-3-5-12(9)17-14(20)18-13(19)10-6-11(15)8-16-7-10/h2-8H,1H3,(H2,17,18,19,20)