[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]diazenyl] piperidine-1-carbodithioate

Systemtic Name: [[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]diazenyl] piperidine-1-carbodithioate Openeye Name: [4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]azo piperidine-1-carbodithioate CAS Name: 1-piperidinecarbodithioic acid [4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]phenyl]azo ester IUPAC Name: [[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]diazenyl] piperidine-1-carbodithioate Traditional Name: piperidine-1-carbodithioic acid [4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]azo ester Formula: C18H22N6O2S3 MolecularWeight: 450.60128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N=NSC(=S)N3CCCCC3)C

Isomeric SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N=NSC(=S)N3CCCCC3)C

InChI

InChI=1S/C18H22N6O2S3/c1-13-12-14(2)20-17(19-13)22-29(25,26)16-8-6-15(7-9-16)21-23-28-18(27)24-10-4-3-5-11-24/h6-9,12H,3-5,10-11H2,1-2H3,(H,19,20,22)