N-(6-methyl-1,3-benzothiazol-2-yl)-4-[3-(4-methylphenyl)-6-oxidanylidene-pyridazin-1-yl]butanamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-4-[3-(4-methylphenyl)-6-oxidanylidene-pyridazin-1-yl]butanamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-4-[6-oxo-3-(p-tolyl)pyridazin-1-yl]butanamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-4-[3-(4-methylphenyl)-6-oxo-1-pyridazinyl]butanamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide Traditional Name: 4-[6-keto-3-(p-tolyl)pyridazin-1-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)butyramide Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)NC3=NC4=C(S3)C=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)NC3=NC4=C(S3)C=C(C=C4)C

InChI

InChI=1S/C23H22N4O2S/c1-15-5-8-17(9-6-15)18-11-12-22(29)27(26-18)13-3-4-21(28)25-23-24-19-10-7-16(2)14-20(19)30-23/h5-12,14H,3-4,13H2,1-2H3,(H,24,25,28)