4-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile hydrochloride

Systemtic Name: 4-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile hydrochloride Openeye Name: 4-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)sulfanylmethyl]benzonitrile hydrochloride CAS Name: 4-[[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)thio]methyl]benzonitrile hydrochloride IUPAC Name: 4-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)sulfanylmethyl]benzonitrile hydrochloride Traditional Name: 4-[[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)thio]methyl]benzonitrile hydrochloride Formula: C14H18ClN3S MolecularWeight: 295.83082

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CNC(=NC1)SCC2=CC=C(C=C2)C#N)C.Cl

Isomeric SMILES

CC1(CNC(=NC1)SCC2=CC=C(C=C2)C#N)C.Cl

InChI

InChI=1S/C14H17N3S.ClH/c1-14(2)9-16-13(17-10-14)18-8-12-5-3-11(7-15)4-6-12;/h3-6H,8-10H2,1-2H3,(H,16,17);1H