(2R)-N-(3-chloranyl-4-methoxy-phenyl)-2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide

Systemtic Name: (2R)-N-(3-chloranyl-4-methoxy-phenyl)-2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(3-chloro-4-methoxy-phenyl)-2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide CAS Name: (2R)-N-(3-chloro-4-methoxyphenyl)-2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]propanamide IUPAC Name: (2R)-N-(3-chloro-4-methoxyphenyl)-2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(3-chloro-4-methoxy-phenyl)-2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]propionamide Formula: C21H17ClN4O3S MolecularWeight: 440.90268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)Cl)SC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=C(C=C1)OC)Cl)SC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C21H17ClN4O3S/c1-12(19(27)24-14-8-9-17(29-2)16(22)10-14)30-21-25-18(13-6-4-3-5-7-13)15(11-23)20(28)26-21/h3-10,12H,1-2H3,(H,24,27)(H,25,26,28)/t12-/m1/s1