N-(3-nitrophenyl)-2-quinazolin-4-ylsulfanyl-ethanamide

Systemtic Name: N-(3-nitrophenyl)-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-(3-nitrophenyl)-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-(3-nitrophenyl)-2-(4-quinazolinylthio)acetamide IUPAC Name: N-(3-nitrophenyl)-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-(3-nitrophenyl)-2-(quinazolin-4-ylthio)acetamide Formula: C16H12N4O3S MolecularWeight: 340.35648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC=N2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC=N2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O3S/c21-15(19-11-4-3-5-12(8-11)20(22)23)9-24-16-13-6-1-2-7-14(13)17-10-18-16/h1-8,10H,9H2,(H,19,21)