2-(2-cyclopentylsulfanyl-5-ethyl-4-oxidanylidene-1H-pyrimidin-6-yl)-2-phenyl-ethanenitrile

Systemtic Name: 2-(2-cyclopentylsulfanyl-5-ethyl-4-oxidanylidene-1H-pyrimidin-6-yl)-2-phenyl-ethanenitrile Openeye Name: 2-(2-cyclopentylsulfanyl-5-ethyl-4-oxo-1H-pyrimidin-6-yl)-2-phenyl-acetonitrile CAS Name: 2-[2-(cyclopentylthio)-5-ethyl-4-oxo-1H-pyrimidin-6-yl]-2-phenylacetonitrile IUPAC Name: 2-(2-cyclopentylsulfanyl-5-ethyl-4-oxo-1H-pyrimidin-6-yl)-2-phenylacetonitrile Traditional Name: 2-[2-(cyclopentylthio)-5-ethyl-4-keto-1H-pyrimidin-6-yl]-2-phenyl-acetonitrile Formula: C19H21N3OS MolecularWeight: 339.45454

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)SC2CCCC2)C(C#N)C3=CC=CC=C3

Isomeric SMILES

CCC1=C(NC(=NC1=O)SC2CCCC2)C(C#N)C3=CC=CC=C3

InChI

InChI=1S/C19H21N3OS/c1-2-15-17(16(12-20)13-8-4-3-5-9-13)21-19(22-18(15)23)24-14-10-6-7-11-14/h3-5,8-9,14,16H,2,6-7,10-11H2,1H3,(H,21,22,23)