5-[3,5-bis(trifluoromethyl)phenyl]-3-methylsulfanyl-1H-1,2,4-triazole

Systemtic Name: 5-[3,5-bis(trifluoromethyl)phenyl]-3-methylsulfanyl-1H-1,2,4-triazole Openeye Name: 5-[3,5-bis(trifluoromethyl)phenyl]-3-methylsulfanyl-1H-1,2,4-triazole CAS Name: 5-[3,5-bis(trifluoromethyl)phenyl]-3-(methylthio)-1H-1,2,4-triazole IUPAC Name: 5-[3,5-bis(trifluoromethyl)phenyl]-3-methylsulfanyl-1H-1,2,4-triazole Traditional Name: 5-[3,5-bis(trifluoromethyl)phenyl]-3-(methylthio)-1H-1,2,4-triazole Formula: C11H7F6N3S MolecularWeight: 327.248799

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NNC(=N1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CSC1=NNC(=N1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C11H7F6N3S/c1-21-9-18-8(19-20-9)5-2-6(10(12,13)14)4-7(3-5)11(15,16)17/h2-4H,1H3,(H,18,19,20)