4-[(1-cyclopentyl-4-methyl-6-oxidanylidene-pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[(1-cyclopentyl-4-methyl-6-oxidanylidene-pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(1-cyclopentyl-4-methyl-6-oxo-pyrimidin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[(1-cyclopentyl-4-methyl-6-oxo-2-pyrimidinyl)thio]methyl]benzonitrile IUPAC Name: 4-[(1-cyclopentyl-4-methyl-6-oxopyrimidin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(1-cyclopentyl-6-keto-4-methyl-pyrimidin-2-yl)thio]methyl]benzonitrile Formula: C18H19N3OS MolecularWeight: 325.42796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)SCC2=CC=C(C=C2)C#N)C3CCCC3

Isomeric SMILES

CC1=CC(=O)N(C(=N1)SCC2=CC=C(C=C2)C#N)C3CCCC3

InChI

InChI=1S/C18H19N3OS/c1-13-10-17(22)21(16-4-2-3-5-16)18(20-13)23-12-15-8-6-14(11-19)7-9-15/h6-10,16H,2-5,12H2,1H3