3-ethyl-5-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-ethyl-5-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-ethyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-ethyl-5-[(4-fluorophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-ethyl-5-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-ethyl-5-[(4-fluorobenzyl)thio]-1,2,4-triazole Formula: C14H16FN3S MolecularWeight: 277.360343

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CC=C)SCC2=CC=C(C=C2)F

Isomeric SMILES

CCC1=NN=C(N1CC=C)SCC2=CC=C(C=C2)F

InChI

InChI=1S/C14H16FN3S/c1-3-9-18-13(4-2)16-17-14(18)19-10-11-5-7-12(15)8-6-11/h3,5-8H,1,4,9-10H2,2H3