3,4-diethoxy-N-[2-(6-oxidanylidene-3-thiophen-2-yl-pyridazin-1-yl)ethyl]benzamide

Systemtic Name: 3,4-diethoxy-N-[2-(6-oxidanylidene-3-thiophen-2-yl-pyridazin-1-yl)ethyl]benzamide Openeye Name: 3,4-diethoxy-N-[2-[6-oxo-3-(2-thienyl)pyridazin-1-yl]ethyl]benzamide CAS Name: 3,4-diethoxy-N-[2-(6-oxo-3-thiophen-2-yl-1-pyridazinyl)ethyl]benzamide IUPAC Name: 3,4-diethoxy-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide Traditional Name: 3,4-diethoxy-N-[2-[6-keto-3-(2-thienyl)pyridazin-1-yl]ethyl]benzamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NCCN2C(=O)C=CC(=N2)C3=CC=CS3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NCCN2C(=O)C=CC(=N2)C3=CC=CS3)OCC

InChI

InChI=1S/C21H23N3O4S/c1-3-27-17-9-7-15(14-18(17)28-4-2)21(26)22-11-12-24-20(25)10-8-16(23-24)19-6-5-13-29-19/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,22,26)