N-(furan-2-ylmethyl)-2-[1-(4-methylphenyl)-4-propan-2-yl-pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-ethanamide

Systemtic Name: N-(furan-2-ylmethyl)-2-[1-(4-methylphenyl)-4-propan-2-yl-pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-ethanamide Openeye Name: N-(2-furylmethyl)-2-[4-isopropyl-1-(p-tolyl)pyrazolo[3,4-d]pyridazin-7-yl]sulfanyl-acetamide CAS Name: N-(2-furanylmethyl)-2-[[1-(4-methylphenyl)-4-propan-2-yl-7-pyrazolo[3,4-d]pyridazinyl]thio]acetamide IUPAC Name: N-(furan-2-ylmethyl)-2-[1-(4-methylphenyl)-4-propan-2-ylpyrazolo[3,4-d]pyridazin-7-yl]sulfanylacetamide Traditional Name: N-(2-furfuryl)-2-[[4-isopropyl-1-(p-tolyl)pyrazolo[3,4-d]pyridazin-7-yl]thio]acetamide Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NN=C3SCC(=O)NCC4=CC=CO4)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NN=C3SCC(=O)NCC4=CC=CO4)C(C)C

InChI

InChI=1S/C22H23N5O2S/c1-14(2)20-18-12-24-27(16-8-6-15(3)7-9-16)21(18)22(26-25-20)30-13-19(28)23-11-17-5-4-10-29-17/h4-10,12,14H,11,13H2,1-3H3,(H,23,28)