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

Systemtic Name: 2-(2-methoxyphenyl)-5-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1H-pyrazol-3-one Openeye Name: 2-(2-methoxyphenyl)-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1H-pyrazol-3-one CAS Name: 2-(2-methoxyphenyl)-5-[[(1-methyl-5-tetrazolyl)thio]methyl]-1H-pyrazol-3-one IUPAC Name: 2-(2-methoxyphenyl)-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1H-pyrazol-3-one Traditional Name: 2-(2-methoxyphenyl)-5-[[(1-methyltetrazol-5-yl)thio]methyl]-3-pyrazolin-3-one Formula: C13H14N6O2S MolecularWeight: 318.35426

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=CC(=O)N(N2)C3=CC=CC=C3OC

Isomeric SMILES

CN1C(=NN=N1)SCC2=CC(=O)N(N2)C3=CC=CC=C3OC

InChI

InChI=1S/C13H14N6O2S/c1-18-13(14-16-17-18)22-8-9-7-12(20)19(15-9)10-5-3-4-6-11(10)21-2/h3-7,15H,8H2,1-2H3