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

Systemtic Name: 5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-phenyl-1H-pyrazol-3-one Openeye Name: 5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-phenyl-1H-pyrazol-3-one CAS Name: 5-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-2-phenyl-1H-pyrazol-3-one IUPAC Name: 5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-phenyl-1H-pyrazol-3-one Traditional Name: 5-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-2-phenyl-3-pyrazolin-3-one Formula: C13H12N4OS2 MolecularWeight: 304.39058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4OS2/c1-9-14-15-13(20-9)19-8-10-7-12(18)17(16-10)11-5-3-2-4-6-11/h2-7,16H,8H2,1H3