3-[3-nitro-5-[2,2,2-tris(fluoranyl)ethoxy]phenyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[3-nitro-5-[2,2,2-tris(fluoranyl)ethoxy]phenyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]-2-thioxo-1H-quinazolin-4-one Formula: C16H10F3N3O4S MolecularWeight: 397.32851

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)C3=CC(=CC(=C3)OCC(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)C3=CC(=CC(=C3)OCC(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H10F3N3O4S/c17-16(18,19)8-26-11-6-9(5-10(7-11)22(24)25)21-14(23)12-3-1-2-4-13(12)20-15(21)27/h1-7H,8H2,(H,20,27)