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

Systemtic Name: 2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N,N-diphenyl-ethanamide Openeye Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N,N-diphenyl-acetamide CAS Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]-N,N-diphenylacetamide IUPAC Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N,N-diphenylacetamide Traditional Name: 2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]-N,N-diphenyl-acetamide Formula: C25H18N4O2S MolecularWeight: 438.50102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C25H18N4O2S/c26-16-21-23(18-10-4-1-5-11-18)27-25(28-24(21)31)32-17-22(30)29(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,17H2,(H,27,28,31)