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

Systemtic Name: 2-(4-methylphenyl)-5-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1H-pyrazol-3-one Openeye Name: 5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-(p-tolyl)-1H-pyrazol-3-one CAS Name: 2-(4-methylphenyl)-5-[[(1-methyl-5-tetrazolyl)thio]methyl]-1H-pyrazol-3-one IUPAC Name: 2-(4-methylphenyl)-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1H-pyrazol-3-one Traditional Name: 5-[[(1-methyltetrazol-5-yl)thio]methyl]-2-(p-tolyl)-3-pyrazolin-3-one Formula: C13H14N6OS MolecularWeight: 302.35486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C=C(N2)CSC3=NN=NN3C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C=C(N2)CSC3=NN=NN3C

InChI

InChI=1S/C13H14N6OS/c1-9-3-5-11(6-4-9)19-12(20)7-10(15-19)8-21-13-14-16-17-18(13)2/h3-7,15H,8H2,1-2H3