N-(6-chloranyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-2-phenoxy-pyridine-3-carboxamide

Systemtic Name: N-(6-chloranyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-2-phenoxy-pyridine-3-carboxamide Openeye Name: N-(6-chloro-4-oxo-2-thioxo-1H-quinazolin-3-yl)-2-phenoxy-pyridine-3-carboxamide CAS Name: N-(6-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-2-phenoxy-3-pyridinecarboxamide IUPAC Name: N-(6-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-2-phenoxypyridine-3-carboxamide Traditional Name: N-(6-chloro-4-keto-2-thioxo-1H-quinazolin-3-yl)-2-phenoxy-nicotinamide Formula: C20H13ClN4O3S MolecularWeight: 424.86022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=C(C=CC=N2)C(=O)NN3C(=O)C4=C(C=CC(=C4)Cl)NC3=S

Isomeric SMILES

C1=CC=C(C=C1)OC2=C(C=CC=N2)C(=O)NN3C(=O)C4=C(C=CC(=C4)Cl)NC3=S

InChI

InChI=1S/C20H13ClN4O3S/c21-12-8-9-16-15(11-12)19(27)25(20(29)23-16)24-17(26)14-7-4-10-22-18(14)28-13-5-2-1-3-6-13/h1-11H,(H,23,29)(H,24,26)