5-[7-[(4-chlorophenyl)methylcarbamoyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl]pyridine-3-carboxylic acid

Systemtic Name: 5-[7-[(4-chlorophenyl)methylcarbamoyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl]pyridine-3-carboxylic acid Openeye Name: 5-[7-[(4-chlorophenyl)methylcarbamoyl]-4-oxo-2-thioxo-1H-quinazolin-3-yl]pyridine-3-carboxylic acid CAS Name: 5-[7-[[(4-chlorophenyl)methylamino]-oxomethyl]-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]-3-pyridinecarboxylic acid IUPAC Name: 5-[7-[(4-chlorophenyl)methylcarbamoyl]-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]pyridine-3-carboxylic acid Traditional Name: 5-[7-[(4-chlorobenzyl)carbamoyl]-4-keto-2-thioxo-1H-quinazolin-3-yl]nicotinic acid Formula: C22H15ClN4O4S MolecularWeight: 466.8969

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CN=CC(=C4)C(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CN=CC(=C4)C(=O)O)Cl

InChI

InChI=1S/C22H15ClN4O4S/c23-15-4-1-12(2-5-15)9-25-19(28)13-3-6-17-18(8-13)26-22(32)27(20(17)29)16-7-14(21(30)31)10-24-11-16/h1-8,10-11H,9H2,(H,25,28)(H,26,32)(H,30,31)