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

Systemtic Name: 2-(4-methoxyphenyl)-5-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1H-pyrazol-3-one Openeye Name: 2-(4-methoxyphenyl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1H-pyrazol-3-one CAS Name: 2-(4-methoxyphenyl)-5-[[(1-phenyl-5-tetrazolyl)thio]methyl]-1H-pyrazol-3-one IUPAC Name: 2-(4-methoxyphenyl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1H-pyrazol-3-one Traditional Name: 2-(4-methoxyphenyl)-5-[[(1-phenyltetrazol-5-yl)thio]methyl]-3-pyrazolin-3-one Formula: C18H16N6O2S MolecularWeight: 380.42364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C=C(N2)CSC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C=C(N2)CSC3=NN=NN3C4=CC=CC=C4

InChI

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