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

Systemtic Name: 4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(trifluoromethyl)quinazoline Openeye Name: 4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(trifluoromethyl)quinazoline CAS Name: 4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-2-(trifluoromethyl)quinazoline IUPAC Name: 4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(trifluoromethyl)quinazoline Traditional Name: 4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-2-(trifluoromethyl)quinazoline Formula: C16H14F3N5S MolecularWeight: 365.37607

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=NC(=NN2)SC3=NC(=NC4=CC=CC=C43)C(F)(F)F

Isomeric SMILES

C1CCC(C1)C2=NC(=NN2)SC3=NC(=NC4=CC=CC=C43)C(F)(F)F

InChI

InChI=1S/C16H14F3N5S/c17-16(18,19)14-20-11-8-4-3-7-10(11)13(22-14)25-15-21-12(23-24-15)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H,21,23,24)