ethyl 2-[1-(4-fluorophenyl)-4-propan-2-yl-pyrazolo[3,4-d]pyridazin-7-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[1-(4-fluorophenyl)-4-propan-2-yl-pyrazolo[3,4-d]pyridazin-7-yl]sulfanylethanoate Openeye Name: ethyl 2-[1-(4-fluorophenyl)-4-isopropyl-pyrazolo[3,4-d]pyridazin-7-yl]sulfanylacetate CAS Name: 2-[[1-(4-fluorophenyl)-4-propan-2-yl-7-pyrazolo[3,4-d]pyridazinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-(4-fluorophenyl)-4-propan-2-ylpyrazolo[3,4-d]pyridazin-7-yl]sulfanylacetate Traditional Name: 2-[[1-(4-fluorophenyl)-4-isopropyl-pyrazolo[3,4-d]pyridazin-7-yl]thio]acetic acid ethyl ester Formula: C18H19FN4O2S MolecularWeight: 374.432463

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(C2=C1N(N=C2)C3=CC=C(C=C3)F)C(C)C

Isomeric SMILES

CCOC(=O)CSC1=NN=C(C2=C1N(N=C2)C3=CC=C(C=C3)F)C(C)C

InChI

InChI=1S/C18H19FN4O2S/c1-4-25-15(24)10-26-18-17-14(16(11(2)3)21-22-18)9-20-23(17)13-7-5-12(19)6-8-13/h5-9,11H,4,10H2,1-3H3