2-[(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylmethyl]-N,N-diethyl-3H-benzimidazole-5-sulfonamide

Systemtic Name: 2-[(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylmethyl]-N,N-diethyl-3H-benzimidazole-5-sulfonamide Openeye Name: 2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanylmethyl]-N,N-diethyl-3H-benzimidazole-5-sulfonamide CAS Name: 2-[[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]methyl]-N,N-diethyl-3H-benzimidazole-5-sulfonamide IUPAC Name: 2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylmethyl]-N,N-diethyl-3H-benzimidazole-5-sulfonamide Traditional Name: 2-[[(3-cyano-4,6-dimethyl-2-pyridyl)thio]methyl]-N,N-diethyl-3H-benzimidazole-5-sulfonamide Formula: C20H23N5O2S2 MolecularWeight: 429.55892

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N=C(N2)CSC3=C(C(=CC(=N3)C)C)C#N

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N=C(N2)CSC3=C(C(=CC(=N3)C)C)C#N

InChI

InChI=1S/C20H23N5O2S2/c1-5-25(6-2)29(26,27)15-7-8-17-18(10-15)24-19(23-17)12-28-20-16(11-21)13(3)9-14(4)22-20/h7-10H,5-6,12H2,1-4H3,(H,23,24)