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

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-chloro-4-nitro-phenyl)propanamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]propanamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-(2-chloro-4-nitro-phenyl)propionamide Formula: C20H17ClN4O4S MolecularWeight: 444.89138

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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)N2CC=C

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)SC2=NC3=CC=CC=C3C(=O)N2CC=C

InChI

InChI=1S/C20H17ClN4O4S/c1-3-10-24-19(27)14-6-4-5-7-16(14)23-20(24)30-12(2)18(26)22-17-9-8-13(25(28)29)11-15(17)21/h3-9,11-12H,1,10H2,2H3,(H,22,26)