2-[2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-methyl-4-oxidanylidene-1H-pyrimidin-6-yl]-2-naphthalen-1-yl-ethanenitrile

Systemtic Name: 2-[2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-methyl-4-oxidanylidene-1H-pyrimidin-6-yl]-2-naphthalen-1-yl-ethanenitrile Openeye Name: 2-[2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-5-methyl-4-oxo-1H-pyrimidin-6-yl]-2-(1-naphthyl)acetonitrile CAS Name: 2-[2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-5-methyl-4-oxo-1H-pyrimidin-6-yl]-2-(1-naphthalenyl)acetonitrile IUPAC Name: 2-[2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-5-methyl-4-oxo-1H-pyrimidin-6-yl]-2-naphthalen-1-ylacetonitrile Traditional Name: 2-[2-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-4-keto-5-methyl-1H-pyrimidin-6-yl]-2-(1-naphthyl)acetonitrile Formula: C25H18ClN3O2S MolecularWeight: 459.94732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SCC(=O)C2=CC=C(C=C2)Cl)C(C#N)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1=C(NC(=NC1=O)SCC(=O)C2=CC=C(C=C2)Cl)C(C#N)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H18ClN3O2S/c1-15-23(21(13-27)20-8-4-6-16-5-2-3-7-19(16)20)28-25(29-24(15)31)32-14-22(30)17-9-11-18(26)12-10-17/h2-12,21H,14H2,1H3,(H,28,29,31)