N-[(4-azanyl-3,5-dicyano-2-oxidanylidene-6-phenyl-pyridin-1-yl)carbamothioyl]benzamide

Systemtic Name: N-[(4-azanyl-3,5-dicyano-2-oxidanylidene-6-phenyl-pyridin-1-yl)carbamothioyl]benzamide Openeye Name: N-[(4-amino-3,5-dicyano-2-oxo-6-phenyl-1-pyridyl)carbamothioyl]benzamide CAS Name: N-[[(4-amino-3,5-dicyano-2-oxo-6-phenyl-1-pyridinyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[(4-amino-3,5-dicyano-2-oxo-6-phenylpyridin-1-yl)carbamothioyl]benzamide Traditional Name: N-[(4-amino-3,5-dicyano-2-keto-6-phenyl-1-pyridyl)thiocarbamoyl]benzamide Formula: C21H14N6O2S MolecularWeight: 414.43986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=C(C(=O)N2NC(=S)NC(=O)C3=CC=CC=C3)C#N)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=C(C(=O)N2NC(=S)NC(=O)C3=CC=CC=C3)C#N)N)C#N

InChI

InChI=1S/C21H14N6O2S/c22-11-15-17(24)16(12-23)20(29)27(18(15)13-7-3-1-4-8-13)26-21(30)25-19(28)14-9-5-2-6-10-14/h1-10H,24H2,(H2,25,26,28,30)