N-(2-cyano-4-nitro-phenyl)-2-quinazolin-4-ylsulfanyl-ethanamide

Systemtic Name: N-(2-cyano-4-nitro-phenyl)-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-(2-cyano-4-nitro-phenyl)-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-(2-cyano-4-nitrophenyl)-2-(4-quinazolinylthio)acetamide IUPAC Name: N-(2-cyano-4-nitrophenyl)-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-(2-cyano-4-nitro-phenyl)-2-(quinazolin-4-ylthio)acetamide Formula: C17H11N5O3S MolecularWeight: 365.36594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11N5O3S/c18-8-11-7-12(22(24)25)5-6-14(11)21-16(23)9-26-17-13-3-1-2-4-15(13)19-10-20-17/h1-7,10H,9H2,(H,21,23)