[(4-piperidin-1-ylsulfonylphenyl)diazenyl] 5-azanylidene-3-methyl-1-phenyl-4H-pyrazole-4-carbodithioate

Systemtic Name: [(4-piperidin-1-ylsulfonylphenyl)diazenyl] 5-azanylidene-3-methyl-1-phenyl-4H-pyrazole-4-carbodithioate Openeye Name: [4-(1-piperidylsulfonyl)phenyl]azo 5-imino-3-methyl-1-phenyl-4H-pyrazole-4-carbodithioate CAS Name: 5-imino-3-methyl-1-phenyl-4H-pyrazole-4-carbodithioic acid [4-(1-piperidinylsulfonyl)phenyl]azo ester IUPAC Name: [(4-piperidin-1-ylsulfonylphenyl)diazenyl] 5-imino-3-methyl-1-phenyl-4H-pyrazole-4-carbodithioate Traditional Name: 5-imino-3-methyl-1-phenyl-2-pyrazoline-4-carbodithioic acid (4-piperidinosulfonylphenyl)azo ester Formula: C22H24N6O2S3 MolecularWeight: 500.65996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=N)C1C(=S)SN=NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=N)C1C(=S)SN=NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H24N6O2S3/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/h2,4-5,8-13,20,23H,3,6-7,14-15H2,1H3