5-[(E)-2-(4-fluorophenyl)ethenyl]-3-prop-2-enylsulfanyl-1H-1,2,4-triazole

Systemtic Name: 5-[(E)-2-(4-fluorophenyl)ethenyl]-3-prop-2-enylsulfanyl-1H-1,2,4-triazole Openeye Name: 3-allylsulfanyl-5-[(E)-2-(4-fluorophenyl)vinyl]-1H-1,2,4-triazole CAS Name: 5-[(E)-2-(4-fluorophenyl)ethenyl]-3-(prop-2-enylthio)-1H-1,2,4-triazole IUPAC Name: 5-[(E)-2-(4-fluorophenyl)ethenyl]-3-prop-2-enylsulfanyl-1H-1,2,4-triazole Traditional Name: 3-(allylthio)-5-[(E)-2-(4-fluorophenyl)vinyl]-1H-1,2,4-triazole Formula: C13H12FN3S MolecularWeight: 261.317883

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NNC(=N1)C=CC2=CC=C(C=C2)F

Isomeric SMILES

C=CCSC1=NNC(=N1)/C=C/C2=CC=C(C=C2)F

InChI

InChI=1S/C13H12FN3S/c1-2-9-18-13-15-12(16-17-13)8-5-10-3-6-11(14)7-4-10/h2-8H,1,9H2,(H,15,16,17)/b8-5+