N-(4-methylcyclohexyl)-2-(4-methyl-1-oxidanylidene-[1]benzothiolo[2,3-d]pyridazin-2-yl)butanamide

Systemtic Name: N-(4-methylcyclohexyl)-2-(4-methyl-1-oxidanylidene-[1]benzothiolo[2,3-d]pyridazin-2-yl)butanamide Openeye Name: N-(4-methylcyclohexyl)-2-(4-methyl-1-oxo-benzothiopheno[2,3-d]pyridazin-2-yl)butanamide CAS Name: N-(4-methylcyclohexyl)-2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)butanamide IUPAC Name: N-(4-methylcyclohexyl)-2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)butanamide Traditional Name: 2-(1-keto-4-methyl-benzothiopheno[2,3-d]pyridazin-2-yl)-N-(4-methylcyclohexyl)butyramide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1CCC(CC1)C)N2C(=O)C3=C(C(=N2)C)SC4=CC=CC=C43

Isomeric SMILES

CCC(C(=O)NC1CCC(CC1)C)N2C(=O)C3=C(C(=N2)C)SC4=CC=CC=C43

InChI

InChI=1S/C22H27N3O2S/c1-4-17(21(26)23-15-11-9-13(2)10-12-15)25-22(27)19-16-7-5-6-8-18(16)28-20(19)14(3)24-25/h5-8,13,15,17H,4,9-12H2,1-3H3,(H,23,26)