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

Systemtic Name: 2-[2-[(4-methoxyphenyl)methylsulfanyl]-4-oxidanylidene-5-propan-2-yl-1H-pyrimidin-6-yl]-2-naphthalen-1-yl-ethanenitrile Openeye Name: 2-[5-isopropyl-2-[(4-methoxyphenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-2-(1-naphthyl)acetonitrile CAS Name: 2-[2-[(4-methoxyphenyl)methylthio]-4-oxo-5-propan-2-yl-1H-pyrimidin-6-yl]-2-(1-naphthalenyl)acetonitrile IUPAC Name: 2-[2-[(4-methoxyphenyl)methylsulfanyl]-4-oxo-5-propan-2-yl-1H-pyrimidin-6-yl]-2-naphthalen-1-ylacetonitrile Traditional Name: 2-[5-isopropyl-4-keto-2-(p-anisylthio)-1H-pyrimidin-6-yl]-2-(1-naphthyl)acetonitrile Formula: C27H25N3O2S MolecularWeight: 455.5713

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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=CC4=CC=CC=C43

Isomeric SMILES

CC(C)C1=C(NC(=NC1=O)SCC2=CC=C(C=C2)OC)C(C#N)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C27H25N3O2S/c1-17(2)24-25(23(15-28)22-10-6-8-19-7-4-5-9-21(19)22)29-27(30-26(24)31)33-16-18-11-13-20(32-3)14-12-18/h4-14,17,23H,16H2,1-3H3,(H,29,30,31)