2-[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]sulfanylethanenitrile

Systemtic Name: 2-[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]sulfanylethanenitrile Openeye Name: 2-[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]sulfanylacetonitrile CAS Name: 2-[[6-(3,4,5-trimethoxyphenyl)-3-pyridazinyl]thio]acetonitrile IUPAC Name: 2-[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]sulfanylacetonitrile Traditional Name: 2-[[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]thio]acetonitrile Formula: C15H15N3O3S MolecularWeight: 317.3629

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN=C(C=C2)SCC#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN=C(C=C2)SCC#N

InChI

InChI=1S/C15H15N3O3S/c1-19-12-8-10(9-13(20-2)15(12)21-3)11-4-5-14(18-17-11)22-7-6-16/h4-5,8-9H,7H2,1-3H3