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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CSC2=NC=NN2

Isomeric SMILES

C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CSC2=NC=NN2

InChI

InChI=1S/C11H7F6N3S/c12-10(13,14)7-1-6(2-8(3-7)11(15,16)17)4-21-9-18-5-19-20-9/h1-3,5H,4H2,(H,18,19,20)