5-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3,4-thiadiazole-2-thiolate

Systemtic Name: 5-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3,4-thiadiazole-2-thiolate Openeye Name: 5-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3,4-thiadiazole-2-thiolate CAS Name: 5-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3,4-thiadiazole-2-thiolate IUPAC Name: 5-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3,4-thiadiazole-2-thiolate Traditional Name: 5-(homoveratrylamino)-1,3,4-thiadiazole-2-thiolate Formula: C12H14N3O2S2- MolecularWeight: 296.38846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NN=C(S2)[S-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NN=C(S2)[S-])OC

InChI

InChI=1S/C12H15N3O2S2/c1-16-9-4-3-8(7-10(9)17-2)5-6-13-11-14-15-12(18)19-11/h3-4,7H,5-6H2,1-2H3,(H,13,14)(H,15,18)/p-1