N-[3-(6-oxidanylidene-3-pyridin-3-yl-pyridazin-1-yl)propyl]-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-[3-(6-oxidanylidene-3-pyridin-3-yl-pyridazin-1-yl)propyl]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[3-[6-oxo-3-(3-pyridyl)pyridazin-1-yl]propyl]acetamide CAS Name: N-[3-[6-oxo-3-(3-pyridinyl)-1-pyridazinyl]propyl]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-[3-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propyl]acetamide Traditional Name: 2-(benzylthio)-N-[3-[6-keto-3-(3-pyridyl)pyridazin-1-yl]propyl]acetamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(=O)NCCCN2C(=O)C=CC(=N2)C3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CSCC(=O)NCCCN2C(=O)C=CC(=N2)C3=CN=CC=C3

InChI

InChI=1S/C21H22N4O2S/c26-20(16-28-15-17-6-2-1-3-7-17)23-12-5-13-25-21(27)10-9-19(24-25)18-8-4-11-22-14-18/h1-4,6-11,14H,5,12-13,15-16H2,(H,23,26)