2-(2-butoxyphenyl)-4-sulfanylidene-1H-quinazoline-6-carboxylic acid

Systemtic Name: 2-(2-butoxyphenyl)-4-sulfanylidene-1H-quinazoline-6-carboxylic acid Openeye Name: 2-(2-butoxyphenyl)-4-thioxo-1H-quinazoline-6-carboxylic acid CAS Name: 2-(2-butoxyphenyl)-4-sulfanylidene-1H-quinazoline-6-carboxylic acid IUPAC Name: 2-(2-butoxyphenyl)-4-sulfanylidene-1H-quinazoline-6-carboxylic acid Traditional Name: 2-(2-butoxyphenyl)-4-thioxo-1H-quinazoline-6-carboxylic acid Formula: C19H18N2O3S MolecularWeight: 354.42282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C2=NC(=S)C3=C(N2)C=CC(=C3)C(=O)O

Isomeric SMILES

CCCCOC1=CC=CC=C1C2=NC(=S)C3=C(N2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C19H18N2O3S/c1-2-3-10-24-16-7-5-4-6-13(16)17-20-15-9-8-12(19(22)23)11-14(15)18(25)21-17/h4-9,11H,2-3,10H2,1H3,(H,22,23)(H,20,21,25)