5-[(3,4-dimethoxyphenyl)methyl]-1,3,5-triazinane-2-thione

Systemtic Name: 5-[(3,4-dimethoxyphenyl)methyl]-1,3,5-triazinane-2-thione Openeye Name: 5-[(3,4-dimethoxyphenyl)methyl]-1,3,5-triazinane-2-thione CAS Name: 5-[(3,4-dimethoxyphenyl)methyl]-1,3,5-triazinane-2-thione IUPAC Name: 5-[(3,4-dimethoxyphenyl)methyl]-1,3,5-triazinane-2-thione Traditional Name: 5-veratryl-1,3,5-triazinane-2-thione Formula: C12H17N3O2S MolecularWeight: 267.34728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CNC(=S)NC2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CNC(=S)NC2)OC

InChI

InChI=1S/C12H17N3O2S/c1-16-10-4-3-9(5-11(10)17-2)6-15-7-13-12(18)14-8-15/h3-5H,6-8H2,1-2H3,(H2,13,14,18)