3-[4-(2,5-dimethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]phenolate

Systemtic Name: 3-[4-(2,5-dimethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]phenolate Openeye Name: 3-[4-(2,5-dimethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]phenolate CAS Name: 3-[4-(2,5-dimethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]phenolate IUPAC Name: 3-[4-(2,5-dimethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]phenolate Traditional Name: 3-[4-(2,5-dimethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]phenolate Formula: C16H14N3O3S- MolecularWeight: 328.36566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N2C(=NNC2=S)C3=CC(=CC=C3)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N2C(=NNC2=S)C3=CC(=CC=C3)[O-]

InChI

InChI=1S/C16H15N3O3S/c1-21-12-6-7-14(22-2)13(9-12)19-15(17-18-16(19)23)10-4-3-5-11(20)8-10/h3-9,20H,1-2H3,(H,18,23)/p-1