N-(2-chloranyl-5-nitro-phenyl)-2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]propanamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]propanamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]propanamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-[(4-oxo-1H-quinazolin-2-yl)thio]propanamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]propanamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-2-[(4-keto-1H-quinazolin-2-yl)thio]propionamide Formula: C17H13ClN4O4S MolecularWeight: 404.82752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)SC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)SC2=NC(=O)C3=CC=CC=C3N2

InChI

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