4-[(7-chloranyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzoic acid

Systemtic Name: 4-[(7-chloranyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzoic acid Openeye Name: 4-[(7-chloro-4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]benzoic acid CAS Name: 4-[(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzoic acid IUPAC Name: 4-[(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzoic acid Traditional Name: 4-[(7-chloro-4-keto-2-thioxo-1H-quinazolin-3-yl)methyl]benzoic acid Formula: C16H11ClN2O3S MolecularWeight: 346.78814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C(=O)C3=C(C=C(C=C3)Cl)NC2=S)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CN2C(=O)C3=C(C=C(C=C3)Cl)NC2=S)C(=O)O

InChI

InChI=1S/C16H11ClN2O3S/c17-11-5-6-12-13(7-11)18-16(23)19(14(12)20)8-9-1-3-10(4-2-9)15(21)22/h1-7H,8H2,(H,18,23)(H,21,22)