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

Systemtic Name: 4-[(1-cyclohexyl-5,6-dihydro-4H-pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile hydrobromide Openeye Name: 4-[(1-cyclohexyl-5,6-dihydro-4H-pyrimidin-2-yl)sulfanylmethyl]benzonitrile hydrobromide CAS Name: 4-[[(1-cyclohexyl-5,6-dihydro-4H-pyrimidin-2-yl)thio]methyl]benzonitrile hydrobromide IUPAC Name: 4-[(1-cyclohexyl-5,6-dihydro-4H-pyrimidin-2-yl)sulfanylmethyl]benzonitrile hydrobromide Traditional Name: 4-[[(1-cyclohexyl-5,6-dihydro-4H-pyrimidin-2-yl)thio]methyl]benzonitrile hydrobromide Formula: C18H24BrN3S MolecularWeight: 394.37226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCCN=C2SCC3=CC=C(C=C3)C#N.Br

Isomeric SMILES

C1CCC(CC1)N2CCCN=C2SCC3=CC=C(C=C3)C#N.Br

InChI

InChI=1S/C18H23N3S.BrH/c19-13-15-7-9-16(10-8-15)14-22-18-20-11-4-12-21(18)17-5-2-1-3-6-17;/h7-10,17H,1-6,11-12,14H2;1H