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

Systemtic Name: 2-(2-cyclopentylsulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl)-2-naphthalen-1-yl-ethanenitrile Openeye Name: 2-(2-cyclopentylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-2-(1-naphthyl)acetonitrile CAS Name: 2-[2-(cyclopentylthio)-4-oxo-1H-pyrimidin-6-yl]-2-(1-naphthalenyl)acetonitrile IUPAC Name: 2-(2-cyclopentylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-2-naphthalen-1-ylacetonitrile Traditional Name: 2-[2-(cyclopentylthio)-4-keto-1H-pyrimidin-6-yl]-2-(1-naphthyl)acetonitrile Formula: C21H19N3OS MolecularWeight: 361.46006

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)SC2=NC(=O)C=C(N2)C(C#N)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CCC(C1)SC2=NC(=O)C=C(N2)C(C#N)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H19N3OS/c22-13-18(17-11-5-7-14-6-1-4-10-16(14)17)19-12-20(25)24-21(23-19)26-15-8-2-3-9-15/h1,4-7,10-12,15,18H,2-3,8-9H2,(H,23,24,25)