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

Systemtic Name: (2R)-N-(4-bromophenyl)-2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(4-bromophenyl)-2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide CAS Name: (2R)-N-(4-bromophenyl)-2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]propanamide IUPAC Name: (2R)-N-(4-bromophenyl)-2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(4-bromophenyl)-2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]propionamide Formula: C20H15BrN4O2S MolecularWeight: 455.3277

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15BrN4O2S/c1-12(18(26)23-15-9-7-14(21)8-10-15)28-20-24-17(13-5-3-2-4-6-13)16(11-22)19(27)25-20/h2-10,12H,1H3,(H,23,26)(H,24,25,27)/t12-/m1/s1