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

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1H-1,2,4-triazole Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1H-1,2,4-triazole CAS Name: 3-[(4-chlorophenyl)methylthio]-5-(trifluoromethyl)-1H-1,2,4-triazole IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1H-1,2,4-triazole Traditional Name: 3-[(4-chlorobenzyl)thio]-5-(trifluoromethyl)-1H-1,2,4-triazole Formula: C10H7ClF3N3S MolecularWeight: 293.69589

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NNC(=N2)C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=CC=C1CSC2=NNC(=N2)C(F)(F)F)Cl

InChI

InChI=1S/C10H7ClF3N3S/c11-7-3-1-6(2-4-7)5-18-9-15-8(16-17-9)10(12,13)14/h1-4H,5H2,(H,15,16,17)