methyl 5-[(4-methyl-1-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[(4-methyl-1-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[(4-methyl-1-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(4-methyl-1-phenyl-7-pyrazolo[3,4-d]pyridazinyl)thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-methyl-1-phenylpyrazolo[3,4-d]pyridazin-7-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(4-methyl-1-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C19H16N4O3S MolecularWeight: 380.42034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(C2=C1C=NN2C3=CC=CC=C3)SCC4=CC=C(O4)C(=O)OC

Isomeric SMILES

CC1=NN=C(C2=C1C=NN2C3=CC=CC=C3)SCC4=CC=C(O4)C(=O)OC

InChI

InChI=1S/C19H16N4O3S/c1-12-15-10-20-23(13-6-4-3-5-7-13)17(15)18(22-21-12)27-11-14-8-9-16(26-14)19(24)25-2/h3-10H,11H2,1-2H3