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

Systemtic Name: 2-[[5-cyano-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-(2-cyanophenyl)ethanamide Openeye Name: 2-[[5-cyano-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(2-cyanophenyl)acetamide CAS Name: 2-[[5-cyano-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]thio]-N-(2-cyanophenyl)acetamide IUPAC Name: 2-[[5-cyano-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(2-cyanophenyl)acetamide Traditional Name: 2-[[5-cyano-4-keto-6-(4-methoxyphenyl)-1H-pyrimidin-2-yl]thio]-N-(2-cyanophenyl)acetamide Formula: C21H15N5O3S MolecularWeight: 417.4405

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)NC3=CC=CC=C3C#N)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)NC3=CC=CC=C3C#N)C#N

InChI

InChI=1S/C21H15N5O3S/c1-29-15-8-6-13(7-9-15)19-16(11-23)20(28)26-21(25-19)30-12-18(27)24-17-5-3-2-4-14(17)10-22/h2-9H,12H2,1H3,(H,24,27)(H,25,26,28)