2-[3,4-dimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]sulfanylethanenitrile

Systemtic Name: 2-[3,4-dimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]sulfanylethanenitrile Openeye Name: 2-[3,4-dimethyl-2-(p-tolyl)pyrazolo[3,4-d]pyridazin-7-yl]sulfanylacetonitrile CAS Name: 2-[[3,4-dimethyl-2-(4-methylphenyl)-7-pyrazolo[3,4-d]pyridazinyl]thio]acetonitrile IUPAC Name: 2-[3,4-dimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]sulfanylacetonitrile Traditional Name: 2-[[3,4-dimethyl-2-(p-tolyl)pyrazolo[3,4-d]pyridazin-7-yl]thio]acetonitrile Formula: C16H15N5S MolecularWeight: 309.3888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C3C(=NN=C(C3=N2)SCC#N)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C3C(=NN=C(C3=N2)SCC#N)C)C

InChI

InChI=1S/C16H15N5S/c1-10-4-6-13(7-5-10)21-12(3)14-11(2)18-19-16(15(14)20-21)22-9-8-17/h4-7H,9H2,1-3H3