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

Systemtic Name: 2-(2-cyclopentylsulfanyl-5-methyl-4-oxidanylidene-1H-pyrimidin-6-yl)-2-phenyl-ethanenitrile Openeye Name: 2-(2-cyclopentylsulfanyl-5-methyl-4-oxo-1H-pyrimidin-6-yl)-2-phenyl-acetonitrile CAS Name: 2-[2-(cyclopentylthio)-5-methyl-4-oxo-1H-pyrimidin-6-yl]-2-phenylacetonitrile IUPAC Name: 2-(2-cyclopentylsulfanyl-5-methyl-4-oxo-1H-pyrimidin-6-yl)-2-phenylacetonitrile Traditional Name: 2-[2-(cyclopentylthio)-4-keto-5-methyl-1H-pyrimidin-6-yl]-2-phenyl-acetonitrile Formula: C18H19N3OS MolecularWeight: 325.42796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3OS/c1-12-16(15(11-19)13-7-3-2-4-8-13)20-18(21-17(12)22)23-14-9-5-6-10-14/h2-4,7-8,14-15H,5-6,9-10H2,1H3,(H,20,21,22)