3-prop-2-ynylsulfanyl-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 3-prop-2-ynylsulfanyl-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-one Openeye Name: 3-prop-2-ynylsulfanyl-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-one CAS Name: 3-(prop-2-ynylthio)-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-one IUPAC Name: 3-prop-2-ynylsulfanyl-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-one Traditional Name: 3-(propargylthio)-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-one Formula: C12H8F3N3OS MolecularWeight: 299.27163

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=NNC(=O)N1C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

C#CCSC1=NNC(=O)N1C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C12H8F3N3OS/c1-2-6-20-11-17-16-10(19)18(11)9-5-3-4-8(7-9)12(13,14)15/h1,3-5,7H,6H2,(H,16,19)