[2-(2,2-dimethylpropylsulfonyl)-6-methoxy-3H-benzimidazol-5-yl]carbamodithioic acid

Systemtic Name: [2-(2,2-dimethylpropylsulfonyl)-6-methoxy-3H-benzimidazol-5-yl]carbamodithioic acid Openeye Name: [2-(2,2-dimethylpropylsulfonyl)-6-methoxy-3H-benzimidazol-5-yl]carbamodithioic acid CAS Name: [2-(2,2-dimethylpropylsulfonyl)-6-methoxy-3H-benzimidazol-5-yl]carbamodithioic acid IUPAC Name: [2-(2,2-dimethylpropylsulfonyl)-6-methoxy-3H-benzimidazol-5-yl]carbamodithioic acid Traditional Name: (6-methoxy-2-neopentylsulfonyl-3H-benzimidazol-5-yl)carbamodithioic acid Formula: C14H19N3O3S3 MolecularWeight: 373.51396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O3S3/c1-14(2,3)7-23(18,19)12-15-8-5-10(17-13(21)22)11(20-4)6-9(8)16-12/h5-6H,7H2,1-4H3,(H,15,16)(H2,17,21,22)