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

Systemtic Name: 4-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-pyridin-3-yl-quinazoline Openeye Name: 4-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-(3-pyridyl)quinazoline CAS Name: 4-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]-2-(3-pyridinyl)quinazoline IUPAC Name: 4-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-pyridin-3-ylquinazoline Traditional Name: 4-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]-2-(3-pyridyl)quinazoline Formula: C17H11F3N6S MolecularWeight: 388.36965

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)C(F)(F)F

Isomeric SMILES

CN1C(=NN=C1SC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)C(F)(F)F

InChI

InChI=1S/C17H11F3N6S/c1-26-15(17(18,19)20)24-25-16(26)27-14-11-6-2-3-7-12(11)22-13(23-14)10-5-4-8-21-9-10/h2-9H,1H3