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

Systemtic Name: 2-(4-methylphenyl)-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1H-pyrazol-3-one Openeye Name: 5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-(p-tolyl)-1H-pyrazol-3-one CAS Name: 2-(4-methylphenyl)-5-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-1H-pyrazol-3-one IUPAC Name: 2-(4-methylphenyl)-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1H-pyrazol-3-one Traditional Name: 5-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-2-(p-tolyl)-3-pyrazolin-3-one Formula: C14H14N4OS2 MolecularWeight: 318.41716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C=C(N2)CSC3=NN=C(S3)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C=C(N2)CSC3=NN=C(S3)C

InChI

InChI=1S/C14H14N4OS2/c1-9-3-5-12(6-4-9)18-13(19)7-11(17-18)8-20-14-16-15-10(2)21-14/h3-7,17H,8H2,1-2H3