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

Systemtic Name: 2-[4-(2,4-dimethylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]phenolate Openeye Name: 2-[4-(2,4-dimethylphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]phenolate CAS Name: 2-[4-(2,4-dimethylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]phenolate IUPAC Name: 2-[4-(2,4-dimethylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]phenolate Traditional Name: 2-[4-(2,4-dimethylphenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]phenolate Formula: C16H14N3OS- MolecularWeight: 296.36686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NNC2=S)C3=CC=CC=C3[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NNC2=S)C3=CC=CC=C3[O-])C

InChI

InChI=1S/C16H15N3OS/c1-10-7-8-13(11(2)9-10)19-15(17-18-16(19)21)12-5-3-4-6-14(12)20/h3-9,20H,1-2H3,(H,18,21)/p-1