3-[2-(3,4-dimethoxyphenyl)ethyl]-6-(phenylmethylsulfanyl)-2,4-dihydro-1H-1,3,5-triazine

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-6-(phenylmethylsulfanyl)-2,4-dihydro-1H-1,3,5-triazine Openeye Name: 6-benzylsulfanyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazine CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-6-(phenylmethylthio)-2,4-dihydro-1H-1,3,5-triazine IUPAC Name: 6-benzylsulfanyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazine Traditional Name: 6-(benzylthio)-3-homoveratryl-2,4-dihydro-1H-s-triazine Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2CNC(=NC2)SCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2CNC(=NC2)SCC3=CC=CC=C3)OC

InChI

InChI=1S/C20H25N3O2S/c1-24-18-9-8-16(12-19(18)25-2)10-11-23-14-21-20(22-15-23)26-13-17-6-4-3-5-7-17/h3-9,12H,10-11,13-15H2,1-2H3,(H,21,22)