2-(4-fluorophenyl)-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1H-pyrazol-3-one

Systemtic Name: 2-(4-fluorophenyl)-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1H-pyrazol-3-one Openeye Name: 2-(4-fluorophenyl)-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1H-pyrazol-3-one CAS Name: 2-(4-fluorophenyl)-5-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-1H-pyrazol-3-one IUPAC Name: 2-(4-fluorophenyl)-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1H-pyrazol-3-one Traditional Name: 2-(4-fluorophenyl)-5-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-3-pyrazolin-3-one Formula: C13H11FN4OS2 MolecularWeight: 322.381043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SCC2=CC(=O)N(N2)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=NN=C(S1)SCC2=CC(=O)N(N2)C3=CC=C(C=C3)F

InChI

InChI=1S/C13H11FN4OS2/c1-8-15-16-13(21-8)20-7-10-6-12(19)18(17-10)11-4-2-9(14)3-5-11/h2-6,17H,7H2,1H3