2-(2-methoxyphenyl)-5-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]pyrazol-3-olate

Systemtic Name: 2-(2-methoxyphenyl)-5-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]pyrazol-3-olate Openeye Name: 2-(2-methoxyphenyl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyrazol-3-olate CAS Name: 2-(2-methoxyphenyl)-5-[[(1-phenyl-5-tetrazolyl)thio]methyl]-3-pyrazololate IUPAC Name: 2-(2-methoxyphenyl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyrazol-3-olate Traditional Name: 2-(2-methoxyphenyl)-5-[[(1-phenyltetrazol-5-yl)thio]methyl]pyrazol-3-olate Formula: C18H15N6O2S- MolecularWeight: 379.4157

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=CC(=N2)CSC3=NN=NN3C4=CC=CC=C4)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2C(=CC(=N2)CSC3=NN=NN3C4=CC=CC=C4)[O-]

InChI

InChI=1S/C18H16N6O2S/c1-26-16-10-6-5-9-15(16)24-17(25)11-13(20-24)12-27-18-19-21-22-23(18)14-7-3-2-4-8-14/h2-11,25H,12H2,1H3/p-1