2-[2-[(4-methoxyphenyl)methylsulfanyl]-4-oxidanylidene-5-propan-2-yl-1H-pyrimidin-6-yl]-2-phenyl-ethanenitrile

Systemtic Name: 2-[2-[(4-methoxyphenyl)methylsulfanyl]-4-oxidanylidene-5-propan-2-yl-1H-pyrimidin-6-yl]-2-phenyl-ethanenitrile Openeye Name: 2-[5-isopropyl-2-[(4-methoxyphenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-2-phenyl-acetonitrile CAS Name: 2-[2-[(4-methoxyphenyl)methylthio]-4-oxo-5-propan-2-yl-1H-pyrimidin-6-yl]-2-phenylacetonitrile IUPAC Name: 2-[2-[(4-methoxyphenyl)methylsulfanyl]-4-oxo-5-propan-2-yl-1H-pyrimidin-6-yl]-2-phenylacetonitrile Traditional Name: 2-[5-isopropyl-4-keto-2-(p-anisylthio)-1H-pyrimidin-6-yl]-2-phenyl-acetonitrile Formula: C23H23N3O2S MolecularWeight: 405.51262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(NC(=NC1=O)SCC2=CC=C(C=C2)OC)C(C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=C(NC(=NC1=O)SCC2=CC=C(C=C2)OC)C(C#N)C3=CC=CC=C3

InChI

InChI=1S/C23H23N3O2S/c1-15(2)20-21(19(13-24)17-7-5-4-6-8-17)25-23(26-22(20)27)29-14-16-9-11-18(28-3)12-10-16/h4-12,15,19H,14H2,1-3H3,(H,25,26,27)