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4-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)benzenecarbonitrile hydrochloride

4-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)benzenecarbonitrile hydrochloride

Systemtic Name:4-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)benzenecarbonitrile hydrochloride
Openeye Name:4-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)benzonitrile hydrochloride
CAS Name:4-[(1,4,5,6-tetrahydropyrimidin-2-ylthio)methyl]benzonitrile hydrochloride
IUPAC Name:4-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanylmethyl)benzonitrile hydrochloride
Traditional Name:4-[(1,4,5,6-tetrahydropyrimidin-2-ylthio)methyl]benzonitrile hydrochloride
Formula: C12H14ClN3S
MolecularWeight: 267.77766
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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=NC1)SCC2=CC=C(C=C2)C#N.Cl


Isomeric SMILES

C1CNC(=NC1)SCC2=CC=C(C=C2)C#N.Cl


InChI

InChI=1S/C12H13N3S.ClH/c13-8-10-2-4-11(5-3-10)9-16-12-14-6-1-7-15-12;/h2-5H,1,6-7,9H2,(H,14,15);1H


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