(Z)-(5-azanylidene-3-methyl-1-phenyl-pyrazol-4-ylidene)-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]sulfanyl-methanethiolate; chloranylnickel

Systemtic Name: (Z)-(5-azanylidene-3-methyl-1-phenyl-pyrazol-4-ylidene)-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]sulfanyl-methanethiolate; chloranylnickel Openeye Name: chloronickel; (Z)-(5-imino-3-methyl-1-phenyl-pyrazol-4-ylidene)-[4-(2-pyridylsulfamoyl)phenyl]azosulfanyl-methanethiolate CAS Name: chloronickel; (Z)-(5-imino-3-methyl-1-phenyl-4-pyrazolylidene)-[[4-(2-pyridinylsulfamoyl)phenyl]azothio]methanethiolate IUPAC Name: chloronickel; (Z)-(5-imino-3-methyl-1-phenylpyrazol-4-ylidene)-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]sulfanylmethanethiolate Traditional Name: chloronickel; (Z)-(5-imino-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)-[[4-(2-pyridylsulfamoyl)phenyl]azothio]methanethiolate Formula: C22H18ClN7NiO2S3- MolecularWeight: 602.76542

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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=CC=CC=N3)C4=CC=CC=C4.Cl[Ni]

Isomeric SMILES

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

InChI

InChI=1S/C22H19N7O2S3.ClH.Ni/c1-15-20(21(23)29(26-15)17-7-3-2-4-8-17)22(32)33-28-25-16-10-12-18(13-11-16)34(30,31)27-19-9-5-6-14-24-19;;/h2-14,23,32H,1H3,(H,24,27);1H;/q;;+1/p-2/b22-20-,23-21?,28-25?;;