2-(2-methylquinazolin-4-yl)sulfanyl-1-(4-nitrophenyl)ethanone

Systemtic Name: 2-(2-methylquinazolin-4-yl)sulfanyl-1-(4-nitrophenyl)ethanone Openeye Name: 2-(2-methylquinazolin-4-yl)sulfanyl-1-(4-nitrophenyl)ethanone CAS Name: 2-[(2-methyl-4-quinazolinyl)thio]-1-(4-nitrophenyl)ethanone IUPAC Name: 2-(2-methylquinazolin-4-yl)sulfanyl-1-(4-nitrophenyl)ethanone Traditional Name: 2-[(2-methylquinazolin-4-yl)thio]-1-(4-nitrophenyl)ethanone Formula: C17H13N3O3S MolecularWeight: 339.36842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3O3S/c1-11-18-15-5-3-2-4-14(15)17(19-11)24-10-16(21)12-6-8-13(9-7-12)20(22)23/h2-9H,10H2,1H3