7-(phenylmethylsulfanyl)-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline

Systemtic Name: 7-(phenylmethylsulfanyl)-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline Openeye Name: 7-benzylsulfanyl-4-[2-(2-pyridyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline CAS Name: 7-(phenylmethylthio)-4-[2-(2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline IUPAC Name: 7-benzylsulfanyl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline Traditional Name: 7-(benzylthio)-4-[2-(2-pyridyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline Formula: C27H22N4S MolecularWeight: 434.55538

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)SCC6=CC=CC=C6

Isomeric SMILES

C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)SCC6=CC=CC=C6

InChI

InChI=1S/C27H22N4S/c1-2-7-19(8-3-1)18-32-20-11-12-21-22(13-15-29-24(21)17-20)26-25-10-6-16-31(25)30-27(26)23-9-4-5-14-28-23/h1-5,7-9,11-15,17H,6,10,16,18H2