1-phenyl-4-propan-2-yl-7-(pyridin-2-ylmethylsulfanyl)pyrazolo[3,4-d]pyridazine

Systemtic Name: 1-phenyl-4-propan-2-yl-7-(pyridin-2-ylmethylsulfanyl)pyrazolo[3,4-d]pyridazine Openeye Name: 4-isopropyl-1-phenyl-7-(2-pyridylmethylsulfanyl)pyrazolo[3,4-d]pyridazine CAS Name: 1-phenyl-4-propan-2-yl-7-(2-pyridinylmethylthio)pyrazolo[3,4-d]pyridazine IUPAC Name: 1-phenyl-4-propan-2-yl-7-(pyridin-2-ylmethylsulfanyl)pyrazolo[3,4-d]pyridazine Traditional Name: 4-isopropyl-1-phenyl-7-(2-pyridylmethylthio)pyrazolo[3,4-d]pyridazine Formula: C20H19N5S MolecularWeight: 361.46336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(C2=C1C=NN2C3=CC=CC=C3)SCC4=CC=CC=N4

Isomeric SMILES

CC(C)C1=NN=C(C2=C1C=NN2C3=CC=CC=C3)SCC4=CC=CC=N4

InChI

InChI=1S/C20H19N5S/c1-14(2)18-17-12-22-25(16-9-4-3-5-10-16)19(17)20(24-23-18)26-13-15-8-6-7-11-21-15/h3-12,14H,13H2,1-2H3