3-(7-chloranyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(pyridin-2-ylmethyl)benzamide

Systemtic Name: 3-(7-chloranyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(pyridin-2-ylmethyl)benzamide Openeye Name: 3-(7-chloro-4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-(2-pyridylmethyl)benzamide CAS Name: 3-(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2-pyridinylmethyl)benzamide IUPAC Name: 3-(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(pyridin-2-ylmethyl)benzamide Traditional Name: 3-(7-chloro-4-keto-2-thioxo-1H-quinazolin-3-yl)-N-(2-pyridylmethyl)benzamide Formula: C21H15ClN4O2S MolecularWeight: 422.8874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CNC(=O)C2=CC(=CC=C2)N3C(=O)C4=C(C=C(C=C4)Cl)NC3=S

Isomeric SMILES

C1=CC=NC(=C1)CNC(=O)C2=CC(=CC=C2)N3C(=O)C4=C(C=C(C=C4)Cl)NC3=S

InChI

InChI=1S/C21H15ClN4O2S/c22-14-7-8-17-18(11-14)25-21(29)26(20(17)28)16-6-3-4-13(10-16)19(27)24-12-15-5-1-2-9-23-15/h1-11H,12H2,(H,24,27)(H,25,29)