(Z)-(5-azanylidene-3-methyl-1-phenyl-pyrazol-4-ylidene)-[(4-piperidin-1-ylsulfonylphenyl)diazenyl]sulfanyl-methanethiolate; bis(chloranyl)iron(1+)

Systemtic Name: (Z)-(5-azanylidene-3-methyl-1-phenyl-pyrazol-4-ylidene)-[(4-piperidin-1-ylsulfonylphenyl)diazenyl]sulfanyl-methanethiolate; bis(chloranyl)iron(1+) Openeye Name: dichloroiron(1+); (Z)-(5-imino-3-methyl-1-phenyl-pyrazol-4-ylidene)-[4-(1-piperidylsulfonyl)phenyl]azosulfanyl-methanethiolate CAS Name: dichloroiron(1+); (Z)-(5-imino-3-methyl-1-phenyl-4-pyrazolylidene)-[[4-(1-piperidinylsulfonyl)phenyl]azothio]methanethiolate IUPAC Name: dichloroiron(1+); (Z)-(5-imino-3-methyl-1-phenylpyrazol-4-ylidene)-[(4-piperidin-1-ylsulfonylphenyl)diazenyl]sulfanylmethanethiolate Traditional Name: dichloroiron(1+); (Z)-(5-imino-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)-[(4-piperidinosulfonylphenyl)azothio]methanethiolate Formula: C22H23Cl2FeN6O2S3 MolecularWeight: 626.40302

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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)N3CCCCC3)C4=CC=CC=C4.Cl[Fe+]Cl

Isomeric SMILES

CC\1=NN(C(=N)/C1=C(/[S-])\SN=NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C4=CC=CC=C4.Cl[Fe+]Cl

InChI

InChI=1S/C22H24N6O2S3.2ClH.Fe/c1-16-20(21(23)28(25-16)18-8-4-2-5-9-18)22(31)32-26-24-17-10-12-19(13-11-17)33(29,30)27-14-6-3-7-15-27;;;/h2,4-5,8-13,23,31H,3,6-7,14-15H2,1H3;2*1H;/q;;;+3/p-3/b22-20-,23-21?,26-24?;;;