5-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-4-prop-2-enyl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-4-prop-2-enyl-1,2,4-triazole-3-thiolate Openeye Name: 4-allyl-5-[2-(3,4-dimethoxyphenyl)thiazol-4-yl]-1,2,4-triazole-3-thiolate CAS Name: 5-[2-(3,4-dimethoxyphenyl)-4-thiazolyl]-4-prop-2-enyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-4-prop-2-enyl-1,2,4-triazole-3-thiolate Traditional Name: 4-allyl-5-[2-(3,4-dimethoxyphenyl)thiazol-4-yl]-1,2,4-triazole-3-thiolate Formula: C16H15N4O2S2- MolecularWeight: 359.4459

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)C3=NN=C(N3CC=C)[S-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)C3=NN=C(N3CC=C)[S-])OC

InChI

InChI=1S/C16H16N4O2S2/c1-4-7-20-14(18-19-16(20)23)11-9-24-15(17-11)10-5-6-12(21-2)13(8-10)22-3/h4-6,8-9H,1,7H2,2-3H3,(H,19,23)/p-1