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

Systemtic Name: N-(2-bromophenyl)-2-(4-methyl-1-oxidanylidene-[1]benzothiolo[2,3-d]pyridazin-2-yl)butanamide Openeye Name: N-(2-bromophenyl)-2-(4-methyl-1-oxo-benzothiopheno[2,3-d]pyridazin-2-yl)butanamide CAS Name: N-(2-bromophenyl)-2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)butanamide IUPAC Name: N-(2-bromophenyl)-2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)butanamide Traditional Name: N-(2-bromophenyl)-2-(1-keto-4-methyl-benzothiopheno[2,3-d]pyridazin-2-yl)butyramide Formula: C21H18BrN3O2S MolecularWeight: 456.35552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1Br)N2C(=O)C3=C(C(=N2)C)SC4=CC=CC=C43

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1Br)N2C(=O)C3=C(C(=N2)C)SC4=CC=CC=C43

InChI

InChI=1S/C21H18BrN3O2S/c1-3-16(20(26)23-15-10-6-5-9-14(15)22)25-21(27)18-13-8-4-7-11-17(13)28-19(18)12(2)24-25/h4-11,16H,3H2,1-2H3,(H,23,26)