[4-[(2,4-dimethylphenyl)sulfamoyl]-2-nitro-phenyl] pyrrolidine-1-carbodithioate

Systemtic Name: [4-[(2,4-dimethylphenyl)sulfamoyl]-2-nitro-phenyl] pyrrolidine-1-carbodithioate Openeye Name: [4-[(2,4-dimethylphenyl)sulfamoyl]-2-nitro-phenyl] pyrrolidine-1-carbodithioate CAS Name: 1-pyrrolidinecarbodithioic acid [4-[(2,4-dimethylphenyl)sulfamoyl]-2-nitrophenyl] ester IUPAC Name: [4-[(2,4-dimethylphenyl)sulfamoyl]-2-nitrophenyl] pyrrolidine-1-carbodithioate Traditional Name: pyrrolidine-1-carbodithioic acid [4-[(2,4-dimethylphenyl)sulfamoyl]-2-nitro-phenyl] ester Formula: C19H21N3O4S3 MolecularWeight: 451.58274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)SC(=S)N3CCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)SC(=S)N3CCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C19H21N3O4S3/c1-13-5-7-16(14(2)11-13)20-29(25,26)15-6-8-18(17(12-15)22(23)24)28-19(27)21-9-3-4-10-21/h5-8,11-12,20H,3-4,9-10H2,1-2H3