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

Systemtic Name: 2-(4-methyl-1-oxidanylidene-[1]benzothiolo[2,3-d]pyridazin-2-yl)-N-(pyridin-2-ylmethyl)butanamide Openeye Name: 2-(4-methyl-1-oxo-benzothiopheno[2,3-d]pyridazin-2-yl)-N-(2-pyridylmethyl)butanamide CAS Name: 2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)-N-(2-pyridinylmethyl)butanamide IUPAC Name: 2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)-N-(pyridin-2-ylmethyl)butanamide Traditional Name: 2-(1-keto-4-methyl-benzothiopheno[2,3-d]pyridazin-2-yl)-N-(2-pyridylmethyl)butyramide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CC=N1)N2C(=O)C3=C(C(=N2)C)SC4=CC=CC=C43

Isomeric SMILES

CCC(C(=O)NCC1=CC=CC=N1)N2C(=O)C3=C(C(=N2)C)SC4=CC=CC=C43

InChI

InChI=1S/C21H20N4O2S/c1-3-16(20(26)23-12-14-8-6-7-11-22-14)25-21(27)18-15-9-4-5-10-17(15)28-19(18)13(2)24-25/h4-11,16H,3,12H2,1-2H3,(H,23,26)