4-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-2-(trifluoromethyl)quinazoline

Systemtic Name: 4-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-2-(trifluoromethyl)quinazoline Openeye Name: 4-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-2-(trifluoromethyl)quinazoline CAS Name: 4-[(2-methoxy-5-nitrophenyl)methylthio]-2-(trifluoromethyl)quinazoline IUPAC Name: 4-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-2-(trifluoromethyl)quinazoline Traditional Name: 4-[(2-methoxy-5-nitro-benzyl)thio]-2-(trifluoromethyl)quinazoline Formula: C17H12F3N3O3S MolecularWeight: 395.35569

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C17H12F3N3O3S/c1-26-14-7-6-11(23(24)25)8-10(14)9-27-15-12-4-2-3-5-13(12)21-16(22-15)17(18,19)20/h2-8H,9H2,1H3