N-(4-butylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-butylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanyl-ethanamide Openeye Name: N-(4-butylphenyl)-2-[6-(3-pyridyl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-(4-butylphenyl)-2-[[6-(3-pyridinyl)-3-pyridazinyl]thio]acetamide IUPAC Name: N-(4-butylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide Traditional Name: N-(4-butylphenyl)-2-[[6-(3-pyridyl)pyridazin-3-yl]thio]acetamide Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CN=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CN=CC=C3

InChI

InChI=1S/C21H22N4OS/c1-2-3-5-16-7-9-18(10-8-16)23-20(26)15-27-21-12-11-19(24-25-21)17-6-4-13-22-14-17/h4,6-14H,2-3,5,15H2,1H3,(H,23,26)