2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(4-nitrophenyl)ethanamide

Systemtic Name: 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(4-nitrophenyl)ethanamide Openeye Name: 2-(benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(4-nitrophenyl)acetamide CAS Name: 2-(4-benzofuro[3,2-d]pyrimidinylthio)-N-(4-nitrophenyl)acetamide IUPAC Name: 2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-(4-nitrophenyl)acetamide Traditional Name: 2-(benzofuro[3,2-d]pyrimidin-4-ylthio)-N-(4-nitrophenyl)acetamide Formula: C18H12N4O4S MolecularWeight: 380.37728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)SCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)SCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H12N4O4S/c23-15(21-11-5-7-12(8-6-11)22(24)25)9-27-18-17-16(19-10-20-18)13-3-1-2-4-14(13)26-17/h1-8,10H,9H2,(H,21,23)