N-[2-(cyanomethylsulfanyl)phenyl]-2-(6-nitro-4-oxidanylidene-quinazolin-3-yl)ethanamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(6-nitro-4-oxidanylidene-quinazolin-3-yl)ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(6-nitro-4-oxo-quinazolin-3-yl)acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-(6-nitro-4-oxo-3-quinazolinyl)acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-(4-keto-6-nitro-quinazolin-3-yl)acetamide Formula: C18H13N5O4S MolecularWeight: 395.39192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])SCC#N

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])SCC#N

InChI

InChI=1S/C18H13N5O4S/c19-7-8-28-16-4-2-1-3-15(16)21-17(24)10-22-11-20-14-6-5-12(23(26)27)9-13(14)18(22)25/h1-6,9,11H,8,10H2,(H,21,24)