N-(4-chloranyl-2-nitro-phenyl)-2-(2-methylquinazolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-chloranyl-2-nitro-phenyl)-2-(2-methylquinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(4-chloro-2-nitro-phenyl)-2-(2-methylquinazolin-4-yl)sulfanyl-acetamide CAS Name: N-(4-chloro-2-nitrophenyl)-2-[(2-methyl-4-quinazolinyl)thio]acetamide IUPAC Name: N-(4-chloro-2-nitrophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide Traditional Name: N-(4-chloro-2-nitro-phenyl)-2-[(2-methylquinazolin-4-yl)thio]acetamide Formula: C17H13ClN4O3S MolecularWeight: 388.82812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H13ClN4O3S/c1-10-19-13-5-3-2-4-12(13)17(20-10)26-9-16(23)21-14-7-6-11(18)8-15(14)22(24)25/h2-8H,9H2,1H3,(H,21,23)