2-(1,3-benzothiazol-2-ylsulfanylmethyl)-7-(trifluoromethyl)quinazolin-4-olate

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-7-(trifluoromethyl)quinazolin-4-olate Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-7-(trifluoromethyl)quinazolin-4-olate CAS Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-7-(trifluoromethyl)-4-quinazolinolate IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-7-(trifluoromethyl)quinazolin-4-olate Traditional Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-7-(trifluoromethyl)quinazolin-4-olate Formula: C17H9F3N3OS2- MolecularWeight: 392.39807

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC3=NC4=C(C=CC(=C4)C(F)(F)F)C(=N3)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC3=NC4=C(C=CC(=C4)C(F)(F)F)C(=N3)[O-]

InChI

InChI=1S/C17H10F3N3OS2/c18-17(19,20)9-5-6-10-12(7-9)21-14(23-15(10)24)8-25-16-22-11-3-1-2-4-13(11)26-16/h1-7H,8H2,(H,21,23,24)/p-1