N-[4-nitro-2-(trifluoromethyl)phenyl]-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[4-nitro-2-(trifluoromethyl)phenyl]-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide Formula: C20H17F3N4O5S MolecularWeight: 482.43299

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17F3N4O5S/c21-20(22,23)14-10-12(27(31)32)6-7-16(14)24-17(29)11-33-19-25-15-5-2-1-4-13(15)18(30)26(19)8-3-9-28/h1-2,4-7,10,28H,3,8-9,11H2,(H,24,29)