5-bromanyl-N-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioyl]pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioyl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamothioyl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiocarbamoyl]nicotinamide Formula: C18H16BrN5O2S MolecularWeight: 446.32094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C18H16BrN5O2S/c1-11-15(17(26)24(23(11)2)14-6-4-3-5-7-14)21-18(27)22-16(25)12-8-13(19)10-20-9-12/h3-10H,1-2H3,(H2,21,22,25,27)