3-methyl-4-propyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-methyl-4-propyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole Openeye Name: 3-methyl-4-propyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole CAS Name: 3-methyl-4-propyl-5-[[3-(trifluoromethyl)phenyl]methylthio]-1,2,4-triazole IUPAC Name: 3-methyl-4-propyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole Traditional Name: 3-methyl-4-propyl-5-[[3-(trifluoromethyl)benzyl]thio]-1,2,4-triazole Formula: C14H16F3N3S MolecularWeight: 315.35715

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC2=CC(=CC=C2)C(F)(F)F)C

Isomeric SMILES

CCCN1C(=NN=C1SCC2=CC(=CC=C2)C(F)(F)F)C

InChI

InChI=1S/C14H16F3N3S/c1-3-7-20-10(2)18-19-13(20)21-9-11-5-4-6-12(8-11)14(15,16)17/h4-6,8H,3,7,9H2,1-2H3