3-(phenylmethylsulfanyl)-5-(trifluoromethyl)-1H-1,2,4-triazole

Systemtic Name: 3-(phenylmethylsulfanyl)-5-(trifluoromethyl)-1H-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-(trifluoromethyl)-1H-1,2,4-triazole CAS Name: 3-(phenylmethylthio)-5-(trifluoromethyl)-1H-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-(trifluoromethyl)-1H-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-(trifluoromethyl)-1H-1,2,4-triazole Formula: C10H8F3N3S MolecularWeight: 259.25083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NNC(=N2)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NNC(=N2)C(F)(F)F

InChI

InChI=1S/C10H8F3N3S/c11-10(12,13)8-14-9(16-15-8)17-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,14,15,16)