(Z)-(5-azanylidene-3-methyl-1-phenyl-pyrazol-4-ylidene)-[[4-[(5,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]diazenyl]sulfanyl-methanethiolate; chloranylmercury(1+)

Systemtic Name: (Z)-(5-azanylidene-3-methyl-1-phenyl-pyrazol-4-ylidene)-[[4-[(5,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]diazenyl]sulfanyl-methanethiolate; chloranylmercury(1+) Openeye Name: chloromercury(1+); (Z)-[4-[(5,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]azosulfanyl-(5-imino-3-methyl-1-phenyl-pyrazol-4-ylidene)methanethiolate CAS Name: chloromercury(1+); (Z)-[[4-[(5,6-dimethoxy-4-pyrimidinyl)sulfamoyl]phenyl]azothio]-(5-imino-3-methyl-1-phenyl-4-pyrazolylidene)methanethiolate IUPAC Name: chloromercury(1+); (Z)-[[4-[(5,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]diazenyl]sulfanyl-(5-imino-3-methyl-1-phenylpyrazol-4-ylidene)methanethiolate Traditional Name: chloromercury(1+); (Z)-[[4-[(5,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]azothio]-(5-imino-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methanethiolate Formula: C23H21ClHgN8O4S3 MolecularWeight: 805.70204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=N)C1=C([S-])SN=NC2=CC=C(C=C2)S(=O)(=O)NC3=C(C(=NC=N3)OC)OC)C4=CC=CC=C4.Cl[Hg+]

Isomeric SMILES

CC\1=NN(C(=N)/C1=C(/[S-])\SN=NC2=CC=C(C=C2)S(=O)(=O)NC3=C(C(=NC=N3)OC)OC)C4=CC=CC=C4.Cl[Hg+]

InChI

InChI=1S/C23H22N8O4S3.ClH.Hg/c1-14-18(20(24)31(28-14)16-7-5-4-6-8-16)23(36)37-30-27-15-9-11-17(12-10-15)38(32,33)29-21-19(34-2)22(35-3)26-13-25-21;;/h4-13,24,36H,1-3H3,(H,25,26,29);1H;/q;;+2/p-2/b23-18-,24-20?,30-27?;;