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

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-(3-methyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[(3-methyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-[(4-keto-3-methyl-quinazolin-2-yl)thio]propionamide Formula: C18H15ClN4O4S MolecularWeight: 418.8541

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)SC2=NC3=CC=CC=C3C(=O)N2C

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)SC2=NC3=CC=CC=C3C(=O)N2C

InChI

InChI=1S/C18H15ClN4O4S/c1-10(16(24)20-15-8-7-11(23(26)27)9-13(15)19)28-18-21-14-6-4-3-5-12(14)17(25)22(18)2/h3-10H,1-2H3,(H,20,24)