2-[(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl]-5,6-dimethyl-3-oxidanylidene-pyridazine-4-carbonitrile

Systemtic Name: 2-[(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl]-5,6-dimethyl-3-oxidanylidene-pyridazine-4-carbonitrile Openeye Name: 2-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl]-5,6-dimethyl-3-oxo-pyridazine-4-carbonitrile CAS Name: 2-[[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl]-5,6-dimethyl-3-oxo-4-pyridazinecarbonitrile IUPAC Name: 2-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile Traditional Name: 2-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl]-3-keto-5,6-dimethyl-pyridazine-4-carbonitrile Formula: C21H24N6O4S MolecularWeight: 456.51806

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CN4C(=O)C(=C(C(=N4)C)C)C#N

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CN4C(=O)C(=C(C(=N4)C)C)C#N

InChI

InChI=1S/C21H24N6O4S/c1-4-26-19-6-5-16(32(29,30)25-7-9-31-10-8-25)11-18(19)23-20(26)13-27-21(28)17(12-22)14(2)15(3)24-27/h5-6,11H,4,7-10,13H2,1-3H3