N-[(3-bromanyl-4-methyl-phenyl)carbamothioyl]pyridine-3-carboxamide

Systemtic Name: N-[(3-bromanyl-4-methyl-phenyl)carbamothioyl]pyridine-3-carboxamide Openeye Name: N-[(3-bromo-4-methyl-phenyl)carbamothioyl]pyridine-3-carboxamide CAS Name: N-[(3-bromo-4-methylanilino)-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: N-[(3-bromo-4-methylphenyl)carbamothioyl]pyridine-3-carboxamide Traditional Name: N-[(3-bromo-4-methyl-phenyl)thiocarbamoyl]nicotinamide Formula: C14H12BrN3OS MolecularWeight: 350.23358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CN=CC=C2)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CN=CC=C2)Br

InChI

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