2-[(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methylthio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methylthio]-4,6-dimethyl-nicotinonitrile Formula: C22H25N5O3S2 MolecularWeight: 471.5956

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CSC4=C(C(=CC(=N4)C)C)C#N

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CSC4=C(C(=CC(=N4)C)C)C#N

InChI

InChI=1S/C22H25N5O3S2/c1-4-27-20-6-5-17(32(28,29)26-7-9-30-10-8-26)12-19(20)25-21(27)14-31-22-18(13-23)15(2)11-16(3)24-22/h5-6,11-12H,4,7-10,14H2,1-3H3