1-(4-nitrophenyl)-2-quinazolin-4-ylsulfanyl-ethanone

Systemtic Name: 1-(4-nitrophenyl)-2-quinazolin-4-ylsulfanyl-ethanone Openeye Name: 1-(4-nitrophenyl)-2-quinazolin-4-ylsulfanyl-ethanone CAS Name: 1-(4-nitrophenyl)-2-(4-quinazolinylthio)ethanone IUPAC Name: 1-(4-nitrophenyl)-2-quinazolin-4-ylsulfanylethanone Traditional Name: 1-(4-nitrophenyl)-2-(quinazolin-4-ylthio)ethanone Formula: C16H11N3O3S MolecularWeight: 325.34184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC=N2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC=N2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H11N3O3S/c20-15(11-5-7-12(8-6-11)19(21)22)9-23-16-13-3-1-2-4-14(13)17-10-18-16/h1-8,10H,9H2