N-[4-nitro-2-(trifluoromethyl)phenyl]-2-quinazolin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[4-nitro-2-(trifluoromethyl)phenyl]-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-[4-nitro-2-(trifluoromethyl)phenyl]-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-[4-nitro-2-(trifluoromethyl)phenyl]-2-(4-quinazolinylthio)acetamide IUPAC Name: N-[4-nitro-2-(trifluoromethyl)phenyl]-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-[4-nitro-2-(trifluoromethyl)phenyl]-2-(quinazolin-4-ylthio)acetamide Formula: C17H11F3N4O3S MolecularWeight: 408.35445

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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(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C17H11F3N4O3S/c18-17(19,20)12-7-10(24(26)27)5-6-14(12)23-15(25)8-28-16-11-3-1-2-4-13(11)21-9-22-16/h1-7,9H,8H2,(H,23,25)