1-(4-methyl-3-nitro-phenyl)-2-quinazolin-4-ylsulfanyl-ethanone

Systemtic Name: 1-(4-methyl-3-nitro-phenyl)-2-quinazolin-4-ylsulfanyl-ethanone Openeye Name: 1-(4-methyl-3-nitro-phenyl)-2-quinazolin-4-ylsulfanyl-ethanone CAS Name: 1-(4-methyl-3-nitrophenyl)-2-(4-quinazolinylthio)ethanone IUPAC Name: 1-(4-methyl-3-nitrophenyl)-2-quinazolin-4-ylsulfanylethanone Traditional Name: 1-(4-methyl-3-nitro-phenyl)-2-(quinazolin-4-ylthio)ethanone Formula: C17H13N3O3S MolecularWeight: 339.36842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=NC=NC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=NC=NC3=CC=CC=C32)[N+](=O)[O-]

InChI

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