N-[[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)amino]carbamothioyl]benzamide

Systemtic Name: N-[[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)amino]carbamothioyl]benzamide Openeye Name: N-[[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)amino]carbamothioyl]benzamide CAS Name: N-[[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)amino]carbamothioyl]benzamide Traditional Name: N-[[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)amino]thiocarbamoyl]benzamide Formula: C19H14N6O2S MolecularWeight: 390.41846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)NNC(=S)NC(=O)C3=CC=CC=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)NNC(=S)NC(=O)C3=CC=CC=C3)C#N

InChI

InChI=1S/C19H14N6O2S/c20-11-14-15(12-7-3-1-4-8-12)21-18(22-17(14)27)24-25-19(28)23-16(26)13-9-5-2-6-10-13/h1-10H,(H2,21,22,24,27)(H2,23,25,26,28)