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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-[3-(4-methylphenyl)-6-oxidanylidene-pyridazin-1-yl]butanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-4-[6-oxo-3-(p-tolyl)pyridazin-1-yl]butanamide CAS Name: N-(1,3-benzothiazol-2-yl)-4-[3-(4-methylphenyl)-6-oxo-1-pyridazinyl]butanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-[6-keto-3-(p-tolyl)pyridazin-1-yl]butyramide Formula: C22H20N4O2S MolecularWeight: 404.4848

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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=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H20N4O2S/c1-15-8-10-16(11-9-15)17-12-13-21(28)26(25-17)14-4-7-20(27)24-22-23-18-5-2-3-6-19(18)29-22/h2-3,5-6,8-13H,4,7,14H2,1H3,(H,23,24,27)