2-(2-cyclopentylsulfanyl-5-methyl-4-oxidanylidene-1H-pyrimidin-6-yl)-2-naphthalen-1-yl-ethanenitrile

Systemtic Name: 2-(2-cyclopentylsulfanyl-5-methyl-4-oxidanylidene-1H-pyrimidin-6-yl)-2-naphthalen-1-yl-ethanenitrile Openeye Name: 2-(2-cyclopentylsulfanyl-5-methyl-4-oxo-1H-pyrimidin-6-yl)-2-(1-naphthyl)acetonitrile CAS Name: 2-[2-(cyclopentylthio)-5-methyl-4-oxo-1H-pyrimidin-6-yl]-2-(1-naphthalenyl)acetonitrile IUPAC Name: 2-(2-cyclopentylsulfanyl-5-methyl-4-oxo-1H-pyrimidin-6-yl)-2-naphthalen-1-ylacetonitrile Traditional Name: 2-[2-(cyclopentylthio)-4-keto-5-methyl-1H-pyrimidin-6-yl]-2-(1-naphthyl)acetonitrile Formula: C22H21N3OS MolecularWeight: 375.48664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SC2CCCC2)C(C#N)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1=C(NC(=NC1=O)SC2CCCC2)C(C#N)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H21N3OS/c1-14-20(24-22(25-21(14)26)27-16-9-3-4-10-16)19(13-23)18-12-6-8-15-7-2-5-11-17(15)18/h2,5-8,11-12,16,19H,3-4,9-10H2,1H3,(H,24,25,26)