4-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-homoveratryl-1H-1,2,4-triazole-5-thione Formula: C12H15N3O2S MolecularWeight: 265.3314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C=NNC2=S)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C=NNC2=S)OC

InChI

InChI=1S/C12H15N3O2S/c1-16-10-4-3-9(7-11(10)17-2)5-6-15-8-13-14-12(15)18/h3-4,7-8H,5-6H2,1-2H3,(H,14,18)