N-(2-chloranyl-5-nitro-phenyl)-2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-2-(3-methyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-[(3-methyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-2-[(4-keto-3-methyl-quinazolin-2-yl)thio]acetamide Formula: C17H13ClN4O4S MolecularWeight: 404.82752

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H13ClN4O4S/c1-21-16(24)11-4-2-3-5-13(11)20-17(21)27-9-15(23)19-14-8-10(22(25)26)6-7-12(14)18/h2-8H,9H2,1H3,(H,19,23)