3-[2,5-bis(trifluoromethyl)phenyl]-2-(3-oxidanylpropylsulfanyl)quinazolin-4-one

Systemtic Name: 3-[2,5-bis(trifluoromethyl)phenyl]-2-(3-oxidanylpropylsulfanyl)quinazolin-4-one Openeye Name: 3-[2,5-bis(trifluoromethyl)phenyl]-2-(3-hydroxypropylsulfanyl)quinazolin-4-one CAS Name: 3-[2,5-bis(trifluoromethyl)phenyl]-2-(3-hydroxypropylthio)-4-quinazolinone IUPAC Name: 3-[2,5-bis(trifluoromethyl)phenyl]-2-(3-hydroxypropylsulfanyl)quinazolin-4-one Traditional Name: 3-[2,5-bis(trifluoromethyl)phenyl]-2-(3-hydroxypropylthio)quinazolin-4-one Formula: C19H14F6N2O2S MolecularWeight: 448.382079

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCCO)C3=C(C=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCCO)C3=C(C=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C19H14F6N2O2S/c20-18(21,22)11-6-7-13(19(23,24)25)15(10-11)27-16(29)12-4-1-2-5-14(12)26-17(27)30-9-3-8-28/h1-2,4-7,10,28H,3,8-9H2