[[4-(pyrimidin-2-ylsulfamoyl)phenyl]diazenyl] 5-azanylidene-3-methyl-1-phenyl-4H-pyrazole-4-carbodithioate

Systemtic Name: [[4-(pyrimidin-2-ylsulfamoyl)phenyl]diazenyl] 5-azanylidene-3-methyl-1-phenyl-4H-pyrazole-4-carbodithioate Openeye Name: [4-(pyrimidin-2-ylsulfamoyl)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-(2-pyrimidinylsulfamoyl)phenyl]azo ester IUPAC Name: [[4-(pyrimidin-2-ylsulfamoyl)phenyl]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-(2-pyrimidylsulfamoyl)phenyl]azo ester Formula: C21H18N8O2S3 MolecularWeight: 510.61502

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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)NC3=NC=CC=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=N)C1C(=S)SN=NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H18N8O2S3/c1-14-18(19(22)29(26-14)16-6-3-2-4-7-16)20(32)33-28-25-15-8-10-17(11-9-15)34(30,31)27-21-23-12-5-13-24-21/h2-13,18,22H,1H3,(H,23,24,27)