tert-butyl 3-(4-fluorophenyl)-7-methylsulfanyl-2-pyridin-4-yl-pyrrolo[3,2-b]pyridine-1-carboxylate

Systemtic Name: tert-butyl 3-(4-fluorophenyl)-7-methylsulfanyl-2-pyridin-4-yl-pyrrolo[3,2-b]pyridine-1-carboxylate Openeye Name: tert-butyl 3-(4-fluorophenyl)-7-methylsulfanyl-2-(4-pyridyl)pyrrolo[3,2-b]pyridine-1-carboxylate CAS Name: 3-(4-fluorophenyl)-7-(methylthio)-2-pyridin-4-yl-1-pyrrolo[3,2-b]pyridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-fluorophenyl)-7-methylsulfanyl-2-pyridin-4-ylpyrrolo[3,2-b]pyridine-1-carboxylate Traditional Name: 3-(4-fluorophenyl)-7-(methylthio)-2-(4-pyridyl)pyrrolo[3,2-b]pyridine-1-carboxylic acid tert-butyl ester Formula: C24H22FN3O2S MolecularWeight: 435.513783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(=C(C2=NC=CC(=C21)SC)C3=CC=C(C=C3)F)C4=CC=NC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1C(=C(C2=NC=CC(=C21)SC)C3=CC=C(C=C3)F)C4=CC=NC=C4

InChI

InChI=1S/C24H22FN3O2S/c1-24(2,3)30-23(29)28-21(16-9-12-26-13-10-16)19(15-5-7-17(25)8-6-15)20-22(28)18(31-4)11-14-27-20/h5-14H,1-4H3