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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NN=C(C=C2)SCC#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NN=C(C=C2)SCC#N)C

InChI

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