4-(1H-1,2,4-triazol-5-ylsulfanyl)-2,8-bis(trifluoromethyl)quinoline

Systemtic Name: 4-(1H-1,2,4-triazol-5-ylsulfanyl)-2,8-bis(trifluoromethyl)quinoline Openeye Name: 4-(1H-1,2,4-triazol-5-ylsulfanyl)-2,8-bis(trifluoromethyl)quinoline CAS Name: 4-(1H-1,2,4-triazol-5-ylthio)-2,8-bis(trifluoromethyl)quinoline IUPAC Name: 4-(1H-1,2,4-triazol-5-ylsulfanyl)-2,8-bis(trifluoromethyl)quinoline Traditional Name: 4-(1H-1,2,4-triazol-5-ylthio)-2,8-bis(trifluoromethyl)quinoline Formula: C13H6F6N4S MolecularWeight: 364.268959

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)C(F)(F)F)N=C(C=C2SC3=NC=NN3)C(F)(F)F

Isomeric SMILES

C1=CC2=C(C(=C1)C(F)(F)F)N=C(C=C2SC3=NC=NN3)C(F)(F)F

InChI

InChI=1S/C13H6F6N4S/c14-12(15,16)7-3-1-2-6-8(24-11-20-5-21-23-11)4-9(13(17,18)19)22-10(6)7/h1-5H,(H,20,21,23)