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

Systemtic Name: [(4-piperazin-1-ylsulfonylphenyl)diazenyl] 5-azanylidene-3-methyl-1-phenyl-4H-pyrazole-4-carbodithioate Openeye Name: (4-piperazin-1-ylsulfonylphenyl)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-piperazinylsulfonyl)phenyl]azo ester IUPAC Name: [(4-piperazin-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-piperazinosulfonylphenyl)azo ester Formula: C21H23N7O2S3 MolecularWeight: 501.64802

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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)N3CCNCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=N)C1C(=S)SN=NC2=CC=C(C=C2)S(=O)(=O)N3CCNCC3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N7O2S3/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/h2-10,19,22-23H,11-14H2,1H3