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

Systemtic Name: 2-(3,4-dimethylphenyl)-5-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1H-pyrazol-3-one Openeye Name: 2-(3,4-dimethylphenyl)-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1H-pyrazol-3-one CAS Name: 2-(3,4-dimethylphenyl)-5-[[(1-methyl-5-tetrazolyl)thio]methyl]-1H-pyrazol-3-one IUPAC Name: 2-(3,4-dimethylphenyl)-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1H-pyrazol-3-one Traditional Name: 2-(3,4-dimethylphenyl)-5-[[(1-methyltetrazol-5-yl)thio]methyl]-3-pyrazolin-3-one Formula: C14H16N6OS MolecularWeight: 316.38144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N6OS/c1-9-4-5-12(6-10(9)2)20-13(21)7-11(16-20)8-22-14-15-17-18-19(14)3/h4-7,16H,8H2,1-3H3