(Z)-(5-azanylidene-3-methyl-1-phenyl-pyrazol-4-ylidene)-[(4-piperazin-1-ylsulfonylphenyl)diazenyl]sulfanyl-methanethiolate; chloranylcobalt(1+)

Systemtic Name: (Z)-(5-azanylidene-3-methyl-1-phenyl-pyrazol-4-ylidene)-[(4-piperazin-1-ylsulfonylphenyl)diazenyl]sulfanyl-methanethiolate; chloranylcobalt(1+) Openeye Name: chlorocobalt(1+); (Z)-(5-imino-3-methyl-1-phenyl-pyrazol-4-ylidene)-(4-piperazin-1-ylsulfonylphenyl)azosulfanyl-methanethiolate CAS Name: chlorocobalt(1+); (Z)-(5-imino-3-methyl-1-phenyl-4-pyrazolylidene)-[[4-(1-piperazinylsulfonyl)phenyl]azothio]methanethiolate IUPAC Name: chlorocobalt(1+); (Z)-(5-imino-3-methyl-1-phenylpyrazol-4-ylidene)-[(4-piperazin-1-ylsulfonylphenyl)diazenyl]sulfanylmethanethiolate Traditional Name: chlorocobalt(1+); (Z)-(5-imino-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)-[(4-piperazinosulfonylphenyl)azothio]methanethiolate Formula: C21H22ClCoN7O2S3 MolecularWeight: 595.02628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=N)C1=C([S-])SN=NC2=CC=C(C=C2)S(=O)(=O)N3CCNCC3)C4=CC=CC=C4.Cl[Co+]

Isomeric SMILES

CC\1=NN(C(=N)/C1=C(/[S-])\SN=NC2=CC=C(C=C2)S(=O)(=O)N3CCNCC3)C4=CC=CC=C4.Cl[Co+]

InChI

InChI=1S/C21H23N7O2S3.ClH.Co/c1-15-19(20(22)28(25-15)17-5-3-2-4-6-17)21(31)32-26-24-16-7-9-18(10-8-16)33(29,30)27-13-11-23-12-14-27;;/h2-10,22-23,31H,11-14H2,1H3;1H;/q;;+2/p-2/b21-19-,22-20?,26-24?;;