2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(2-cyanophenyl)ethanamide

Systemtic Name: 2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(2-cyanophenyl)ethanamide Openeye Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide CAS Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]-N-(2-cyanophenyl)acetamide IUPAC Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide Traditional Name: 2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]-N-(2-cyanophenyl)acetamide Formula: C20H13N5O2S MolecularWeight: 387.41452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)NC3=CC=CC=C3C#N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)NC3=CC=CC=C3C#N)C#N

InChI

InChI=1S/C20H13N5O2S/c21-10-14-8-4-5-9-16(14)23-17(26)12-28-20-24-18(13-6-2-1-3-7-13)15(11-22)19(27)25-20/h1-9H,12H2,(H,23,26)(H,24,25,27)