4-methyl-3-[(E)-3-phenylprop-2-enyl]sulfanyl-5-(trifluoromethyl)-1,2,4-triazole

Systemtic Name: 4-methyl-3-[(E)-3-phenylprop-2-enyl]sulfanyl-5-(trifluoromethyl)-1,2,4-triazole Openeye Name: 3-[(E)-cinnamyl]sulfanyl-4-methyl-5-(trifluoromethyl)-1,2,4-triazole CAS Name: 4-methyl-3-[[(E)-3-phenylprop-2-enyl]thio]-5-(trifluoromethyl)-1,2,4-triazole IUPAC Name: 4-methyl-3-[(E)-3-phenylprop-2-enyl]sulfanyl-5-(trifluoromethyl)-1,2,4-triazole Traditional Name: 3-[[(E)-cinnamyl]thio]-4-methyl-5-(trifluoromethyl)-1,2,4-triazole Formula: C13H12F3N3S MolecularWeight: 299.31469

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC=CC2=CC=CC=C2)C(F)(F)F

Isomeric SMILES

CN1C(=NN=C1SC/C=C/C2=CC=CC=C2)C(F)(F)F

InChI

InChI=1S/C13H12F3N3S/c1-19-11(13(14,15)16)17-18-12(19)20-9-5-8-10-6-3-2-4-7-10/h2-8H,9H2,1H3/b8-5+