3-(2,3-dimethylphenyl)-7-(pyridin-2-ylmethylcarbamoyl)-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-(2,3-dimethylphenyl)-7-(pyridin-2-ylmethylcarbamoyl)-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-(2,3-dimethylphenyl)-7-(2-pyridylmethylcarbamoyl)-2-thioxo-quinazolin-4-olate CAS Name: 3-(2,3-dimethylphenyl)-7-[oxo-(2-pyridinylmethylamino)methyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-(2,3-dimethylphenyl)-7-(pyridin-2-ylmethylcarbamoyl)-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-(2,3-dimethylphenyl)-7-(2-pyridylmethylcarbamoyl)-2-thioxo-quinazolin-4-olate Formula: C23H19N4O2S- MolecularWeight: 415.48756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=C3C=CC(=CC3=NC2=S)C(=O)NCC4=CC=CC=N4)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=C3C=CC(=CC3=NC2=S)C(=O)NCC4=CC=CC=N4)[O-])C

InChI

InChI=1S/C23H20N4O2S/c1-14-6-5-8-20(15(14)2)27-22(29)18-10-9-16(12-19(18)26-23(27)30)21(28)25-13-17-7-3-4-11-24-17/h3-12,29H,13H2,1-2H3,(H,25,28)/p-1