2-[3-(phenylmethylsulfanyl)phenyl]-1,4,5,6-tetrahydropyrimidine

Systemtic Name: 2-[3-(phenylmethylsulfanyl)phenyl]-1,4,5,6-tetrahydropyrimidine Openeye Name: 2-(3-benzylsulfanylphenyl)-1,4,5,6-tetrahydropyrimidine CAS Name: 2-[3-(phenylmethylthio)phenyl]-1,4,5,6-tetrahydropyrimidine IUPAC Name: 2-(3-benzylsulfanylphenyl)-1,4,5,6-tetrahydropyrimidine Traditional Name: 2-[3-(benzylthio)phenyl]-1,4,5,6-tetrahydropyrimidine Formula: C17H18N2S MolecularWeight: 282.40322

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=NC1)C2=CC(=CC=C2)SCC3=CC=CC=C3

Isomeric SMILES

C1CNC(=NC1)C2=CC(=CC=C2)SCC3=CC=CC=C3

InChI

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