4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-(trifluoromethyl)quinazoline

Systemtic Name: 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-(trifluoromethyl)quinazoline Openeye Name: 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-(trifluoromethyl)quinazoline CAS Name: 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-2-(trifluoromethyl)quinazoline IUPAC Name: 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-(trifluoromethyl)quinazoline Traditional Name: 4-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-2-(trifluoromethyl)quinazoline Formula: C20H14F3N5S MolecularWeight: 413.41887

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3=CC=CC=C3)SC4=NC(=NC5=CC=CC=C54)C(F)(F)F

Isomeric SMILES

C1CC1C2=NN=C(N2C3=CC=CC=C3)SC4=NC(=NC5=CC=CC=C54)C(F)(F)F

InChI

InChI=1S/C20H14F3N5S/c21-20(22,23)18-24-15-9-5-4-8-14(15)17(25-18)29-19-27-26-16(12-10-11-12)28(19)13-6-2-1-3-7-13/h1-9,12H,10-11H2