2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanylethanenitrile

Systemtic Name: 2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanylethanenitrile Openeye Name: 2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanylacetonitrile CAS Name: 2-[[6-(4-ethylphenyl)-3-pyridazinyl]thio]acetonitrile IUPAC Name: 2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanylacetonitrile Traditional Name: 2-[[6-(4-ethylphenyl)pyridazin-3-yl]thio]acetonitrile Formula: C14H13N3S MolecularWeight: 255.33812

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN=C(C=C2)SCC#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN=C(C=C2)SCC#N

InChI

InChI=1S/C14H13N3S/c1-2-11-3-5-12(6-4-11)13-7-8-14(17-16-13)18-10-9-15/h3-8H,2,10H2,1H3