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

Systemtic Name: 2-(4-methyl-1-oxidanylidene-[1]benzothiolo[2,3-d]pyridazin-2-yl)-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-2-(4-methyl-1-oxo-benzothiopheno[2,3-d]pyridazin-2-yl)butanamide CAS Name: 2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)butanamide Traditional Name: N-benzyl-2-(1-keto-4-methyl-benzothiopheno[2,3-d]pyridazin-2-yl)butyramide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CC=C1)N2C(=O)C3=C(C(=N2)C)SC4=CC=CC=C43

Isomeric SMILES

CCC(C(=O)NCC1=CC=CC=C1)N2C(=O)C3=C(C(=N2)C)SC4=CC=CC=C43

InChI

InChI=1S/C22H21N3O2S/c1-3-17(21(26)23-13-15-9-5-4-6-10-15)25-22(27)19-16-11-7-8-12-18(16)28-20(19)14(2)24-25/h4-12,17H,3,13H2,1-2H3,(H,23,26)