1-(2-methoxyphenyl)-7-methylsulfanyl-4-propan-2-yl-pyrazolo[3,4-d]pyridazine

Systemtic Name: 1-(2-methoxyphenyl)-7-methylsulfanyl-4-propan-2-yl-pyrazolo[3,4-d]pyridazine Openeye Name: 4-isopropyl-1-(2-methoxyphenyl)-7-methylsulfanyl-pyrazolo[3,4-d]pyridazine CAS Name: 1-(2-methoxyphenyl)-7-(methylthio)-4-propan-2-ylpyrazolo[3,4-d]pyridazine IUPAC Name: 1-(2-methoxyphenyl)-7-methylsulfanyl-4-propan-2-ylpyrazolo[3,4-d]pyridazine Traditional Name: 4-isopropyl-1-(2-methoxyphenyl)-7-(methylthio)pyrazolo[3,4-d]pyridazine Formula: C16H18N4OS MolecularWeight: 314.40532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(C2=C1C=NN2C3=CC=CC=C3OC)SC

Isomeric SMILES

CC(C)C1=NN=C(C2=C1C=NN2C3=CC=CC=C3OC)SC

InChI

InChI=1S/C16H18N4OS/c1-10(2)14-11-9-17-20(15(11)16(22-4)19-18-14)12-7-5-6-8-13(12)21-3/h5-10H,1-4H3