2-[2-(phenylmethylsulfanyl)phenyl]-1,2,5,6-tetrahydropyrimidine hydrochloride

Systemtic Name: 2-[2-(phenylmethylsulfanyl)phenyl]-1,2,5,6-tetrahydropyrimidine hydrochloride Openeye Name: 2-(2-benzylsulfanylphenyl)-1,2,5,6-tetrahydropyrimidine hydrochloride CAS Name: 2-[2-(phenylmethylthio)phenyl]-1,2,5,6-tetrahydropyrimidine hydrochloride IUPAC Name: 2-(2-benzylsulfanylphenyl)-1,2,5,6-tetrahydropyrimidine hydrochloride Traditional Name: 2-[2-(benzylthio)phenyl]-1,2,5,6-tetrahydropyrimidine hydrochloride Formula: C17H19ClN2S MolecularWeight: 318.86416

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(N=C1)C2=CC=CC=C2SCC3=CC=CC=C3.Cl

Isomeric SMILES

C1CNC(N=C1)C2=CC=CC=C2SCC3=CC=CC=C3.Cl

InChI

InChI=1S/C17H18N2S.ClH/c1-2-7-14(8-3-1)13-20-16-10-5-4-9-15(16)17-18-11-6-12-19-17;/h1-5,7-11,17,19H,6,12-13H2;1H