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

Systemtic Name: 4,6-dimethyl-2-[(5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methylsulfanyl]pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-2-[(5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methylsulfanyl]pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-2-[[5-(4-morpholinylsulfonyl)-1-propyl-2-benzimidazolyl]methylthio]-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-2-[(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)methylsulfanyl]pyridine-3-carbonitrile Traditional Name: 4,6-dimethyl-2-[(5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methylthio]nicotinonitrile Formula: C23H27N5O3S2 MolecularWeight: 485.62218

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CSC4=C(C(=CC(=N4)C)C)C#N

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CSC4=C(C(=CC(=N4)C)C)C#N

InChI

InChI=1S/C23H27N5O3S2/c1-4-7-28-21-6-5-18(33(29,30)27-8-10-31-11-9-27)13-20(21)26-22(28)15-32-23-19(14-24)16(2)12-17(3)25-23/h5-6,12-13H,4,7-11,15H2,1-3H3