3-[(E)-2-[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]ethenyl]-4-methyl-6-oxidanylidene-1H-pyridazine-5-carbonitrile

Systemtic Name: 3-[(E)-2-[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]ethenyl]-4-methyl-6-oxidanylidene-1H-pyridazine-5-carbonitrile Openeye Name: 3-[(E)-2-[3-ethoxy-4-(2-thienylmethoxy)phenyl]vinyl]-4-methyl-6-oxo-1H-pyridazine-5-carbonitrile CAS Name: 3-[(E)-2-[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]ethenyl]-4-methyl-6-oxo-1H-pyridazine-5-carbonitrile IUPAC Name: 3-[(E)-2-[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]ethenyl]-4-methyl-6-oxo-1H-pyridazine-5-carbonitrile Traditional Name: 3-[(E)-2-[3-ethoxy-4-(2-thenyloxy)phenyl]vinyl]-6-keto-4-methyl-1H-pyridazine-5-carbonitrile Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC2=NNC(=O)C(=C2C)C#N)OCC3=CC=CS3

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C2=NNC(=O)C(=C2C)C#N)OCC3=CC=CS3

InChI

InChI=1S/C21H19N3O3S/c1-3-26-20-11-15(7-9-19(20)27-13-16-5-4-10-28-16)6-8-18-14(2)17(12-22)21(25)24-23-18/h4-11H,3,13H2,1-2H3,(H,24,25)/b8-6+