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

Systemtic Name: N-(3-methoxyphenyl)-2-(4-methyl-1-oxidanylidene-[1]benzothiolo[2,3-d]pyridazin-2-yl)butanamide Openeye Name: N-(3-methoxyphenyl)-2-(4-methyl-1-oxo-benzothiopheno[2,3-d]pyridazin-2-yl)butanamide CAS Name: N-(3-methoxyphenyl)-2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)butanamide IUPAC Name: N-(3-methoxyphenyl)-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-(3-methoxyphenyl)butyramide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=CC=C1)OC)N2C(=O)C3=C(C(=N2)C)SC4=CC=CC=C43

Isomeric SMILES

CCC(C(=O)NC1=CC(=CC=C1)OC)N2C(=O)C3=C(C(=N2)C)SC4=CC=CC=C43

InChI

InChI=1S/C22H21N3O3S/c1-4-17(21(26)23-14-8-7-9-15(12-14)28-3)25-22(27)19-16-10-5-6-11-18(16)29-20(19)13(2)24-25/h5-12,17H,4H2,1-3H3,(H,23,26)