[(4-morpholin-4-ylsulfonylphenyl)diazenyl] 5-azanyl-3-methyl-1-phenyl-pyrazole-4-carbodithioate

Systemtic Name: [(4-morpholin-4-ylsulfonylphenyl)diazenyl] 5-azanyl-3-methyl-1-phenyl-pyrazole-4-carbodithioate Openeye Name: (4-morpholinosulfonylphenyl)azo 5-amino-3-methyl-1-phenyl-pyrazole-4-carbodithioate CAS Name: 5-amino-3-methyl-1-phenyl-4-pyrazolecarbodithioic acid [4-(4-morpholinylsulfonyl)phenyl]azo ester IUPAC Name: [(4-morpholin-4-ylsulfonylphenyl)diazenyl] 5-amino-3-methyl-1-phenylpyrazole-4-carbodithioate Traditional Name: 5-amino-3-methyl-1-phenyl-pyrazole-4-carbodithioic acid (4-morpholinosulfonylphenyl)azo ester Formula: C21H22N6O3S3 MolecularWeight: 502.63278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=S)SN=NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)N)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=S)SN=NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)N)C4=CC=CC=C4

InChI

InChI=1S/C21H22N6O3S3/c1-15-19(20(22)27(24-15)17-5-3-2-4-6-17)21(31)32-25-23-16-7-9-18(10-8-16)33(28,29)26-11-13-30-14-12-26/h2-10H,11-14,22H2,1H3