[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]diazenyl] 5-azanyl-3-methyl-1-phenyl-pyrazole-4-carbodithioate

Systemtic Name: [[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]diazenyl] 5-azanyl-3-methyl-1-phenyl-pyrazole-4-carbodithioate Openeye Name: [4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]azo 5-amino-3-methyl-1-phenyl-pyrazole-4-carbodithioate CAS Name: 5-amino-3-methyl-1-phenyl-4-pyrazolecarbodithioic acid [4-[(4-methyl-2-pyrimidinyl)sulfamoyl]phenyl]azo ester IUPAC Name: [[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]diazenyl] 5-amino-3-methyl-1-phenylpyrazole-4-carbodithioate Traditional Name: 5-amino-3-methyl-1-phenyl-pyrazole-4-carbodithioic acid [4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]azo ester Formula: C22H20N8O2S3 MolecularWeight: 524.6416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NSC(=S)C3=C(N(N=C3C)C4=CC=CC=C4)N

Isomeric SMILES

CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NSC(=S)C3=C(N(N=C3C)C4=CC=CC=C4)N

InChI

InChI=1S/C22H20N8O2S3/c1-14-12-13-24-22(25-14)28-35(31,32)18-10-8-16(9-11-18)26-29-34-21(33)19-15(2)27-30(20(19)23)17-6-4-3-5-7-17/h3-13H,23H2,1-2H3,(H,24,25,28)