[6-chloranyl-2-(2,2-dimethylpropylsulfonyl)-1H-benzimidazol-5-yl]carbamodithioic acid

Systemtic Name: [6-chloranyl-2-(2,2-dimethylpropylsulfonyl)-1H-benzimidazol-5-yl]carbamodithioic acid Openeye Name: [6-chloro-2-(2,2-dimethylpropylsulfonyl)-1H-benzimidazol-5-yl]carbamodithioic acid CAS Name: [6-chloro-2-(2,2-dimethylpropylsulfonyl)-1H-benzimidazol-5-yl]carbamodithioic acid IUPAC Name: [6-chloro-2-(2,2-dimethylpropylsulfonyl)-1H-benzimidazol-5-yl]carbamodithioic acid Traditional Name: (6-chloro-2-neopentylsulfonyl-1H-benzimidazol-5-yl)carbamodithioic acid Formula: C13H16ClN3O2S3 MolecularWeight: 377.93304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CS(=O)(=O)C1=NC2=CC(=C(C=C2N1)Cl)NC(=S)S

Isomeric SMILES

CC(C)(C)CS(=O)(=O)C1=NC2=CC(=C(C=C2N1)Cl)NC(=S)S

InChI

InChI=1S/C13H16ClN3O2S3/c1-13(2,3)6-22(18,19)11-15-9-4-7(14)8(17-12(20)21)5-10(9)16-11/h4-5H,6H2,1-3H3,(H,15,16)(H2,17,20,21)