(3-cyano-3,3-diphenyl-propyl) 4-[2,6-bis(chloranyl)phenyl]sulfonylpiperazine-1-carbodithioate

Systemtic Name: (3-cyano-3,3-diphenyl-propyl) 4-[2,6-bis(chloranyl)phenyl]sulfonylpiperazine-1-carbodithioate Openeye Name: (3-cyano-3,3-diphenyl-propyl) 4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbodithioate CAS Name: 4-(2,6-dichlorophenyl)sulfonyl-1-piperazinecarbodithioic acid (3-cyano-3,3-diphenylpropyl) ester IUPAC Name: (3-cyano-3,3-diphenylpropyl) 4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbodithioate Traditional Name: 4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbodithioic acid (3-cyano-3,3-diphenyl-propyl) ester Formula: C27H25Cl2N3O2S3 MolecularWeight: 590.6073

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)SCCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=C(C=CC=C4Cl)Cl

Isomeric SMILES

C1CN(CCN1C(=S)SCCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=C(C=CC=C4Cl)Cl

InChI

InChI=1S/C27H25Cl2N3O2S3/c28-23-12-7-13-24(29)25(23)37(33,34)32-17-15-31(16-18-32)26(35)36-19-14-27(20-30,21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-13H,14-19H2