[2-(2,2-dimethylpropylsulfonyl)-3H-benzimidazol-5-yl]carbamodithioic acid

Systemtic Name: [2-(2,2-dimethylpropylsulfonyl)-3H-benzimidazol-5-yl]carbamodithioic acid Openeye Name: [2-(2,2-dimethylpropylsulfonyl)-3H-benzimidazol-5-yl]carbamodithioic acid CAS Name: [2-(2,2-dimethylpropylsulfonyl)-3H-benzimidazol-5-yl]carbamodithioic acid IUPAC Name: [2-(2,2-dimethylpropylsulfonyl)-3H-benzimidazol-5-yl]carbamodithioic acid Traditional Name: (2-neopentylsulfonyl-3H-benzimidazol-5-yl)carbamodithioic acid Formula: C13H17N3O2S3 MolecularWeight: 343.48798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CS(=O)(=O)C1=NC2=C(N1)C=C(C=C2)NC(=S)S

Isomeric SMILES

CC(C)(C)CS(=O)(=O)C1=NC2=C(N1)C=C(C=C2)NC(=S)S

InChI

InChI=1S/C13H17N3O2S3/c1-13(2,3)7-21(17,18)11-15-9-5-4-8(14-12(19)20)6-10(9)16-11/h4-6H,7H2,1-3H3,(H,15,16)(H2,14,19,20)