1-(4-chloranyl-3-nitro-phenyl)-2-(4-methylquinazolin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(4-chloranyl-3-nitro-phenyl)-2-(4-methylquinazolin-2-yl)sulfanyl-ethanone Openeye Name: 1-(4-chloro-3-nitro-phenyl)-2-(4-methylquinazolin-2-yl)sulfanyl-ethanone CAS Name: 1-(4-chloro-3-nitrophenyl)-2-[(4-methyl-2-quinazolinyl)thio]ethanone IUPAC Name: 1-(4-chloro-3-nitrophenyl)-2-(4-methylquinazolin-2-yl)sulfanylethanone Traditional Name: 1-(4-chloro-3-nitro-phenyl)-2-[(4-methylquinazolin-2-yl)thio]ethanone Formula: C17H12ClN3O3S MolecularWeight: 373.81348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=CC=CC=C12)SCC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NC2=CC=CC=C12)SCC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H12ClN3O3S/c1-10-12-4-2-3-5-14(12)20-17(19-10)25-9-16(22)11-6-7-13(18)15(8-11)21(23)24/h2-8H,9H2,1H3