N-(1,3-benzothiazol-2-yl)-2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[[6-(2,4-dimethylphenyl)-3-pyridazinyl]thio]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[[6-(2,4-dimethylphenyl)pyridazin-3-yl]thio]acetamide Formula: C21H18N4OS2 MolecularWeight: 406.52382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4OS2/c1-13-7-8-15(14(2)11-13)16-9-10-20(25-24-16)27-12-19(26)23-21-22-17-5-3-4-6-18(17)28-21/h3-11H,12H2,1-2H3,(H,22,23,26)