4-methyl-3-phenethylsulfanyl-5-(trifluoromethyl)-1,2,4-triazole

Systemtic Name: 4-methyl-3-phenethylsulfanyl-5-(trifluoromethyl)-1,2,4-triazole Openeye Name: 4-methyl-3-phenethylsulfanyl-5-(trifluoromethyl)-1,2,4-triazole CAS Name: 4-methyl-3-(phenethylthio)-5-(trifluoromethyl)-1,2,4-triazole IUPAC Name: 4-methyl-3-phenethylsulfanyl-5-(trifluoromethyl)-1,2,4-triazole Traditional Name: 4-methyl-3-(phenethylthio)-5-(trifluoromethyl)-1,2,4-triazole Formula: C12H12F3N3S MolecularWeight: 287.30399

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCC2=CC=CC=C2)C(F)(F)F

Isomeric SMILES

CN1C(=NN=C1SCCC2=CC=CC=C2)C(F)(F)F

InChI

InChI=1S/C12H12F3N3S/c1-18-10(12(13,14)15)16-17-11(18)19-8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3