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

Systemtic Name: 4-[(1-cyclohexyl-5,6-dihydro-4H-pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile bromide Openeye Name: 4-[(1-cyclohexyl-5,6-dihydro-4H-pyrimidin-2-yl)sulfanylmethyl]benzonitrile bromide CAS Name: 4-[[(1-cyclohexyl-5,6-dihydro-4H-pyrimidin-2-yl)thio]methyl]benzonitrile bromide IUPAC Name: 4-[(1-cyclohexyl-5,6-dihydro-4H-pyrimidin-2-yl)sulfanylmethyl]benzonitrile bromide Traditional Name: 4-[[(1-cyclohexyl-5,6-dihydro-4H-pyrimidin-2-yl)thio]methyl]benzonitrile bromide Formula: C18H23BrN3S- MolecularWeight: 393.36432

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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/p-1