1-(4-fluorophenyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(4-fluorophenyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-fluorophenyl)ethanone CAS Name: 1-(4-fluorophenyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-fluorophenyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-(4-fluorophenyl)ethanone Formula: C14H14FN3OS MolecularWeight: 291.343863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SCC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC1=NN=C(N1CC=C)SCC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C14H14FN3OS/c1-3-8-18-10(2)16-17-14(18)20-9-13(19)11-4-6-12(15)7-5-11/h3-7H,1,8-9H2,2H3