5-[3-(cyclopropylmethoxy)phenyl]sulfanyl-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

Systemtic Name: 5-[3-(cyclopropylmethoxy)phenyl]sulfanyl-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine Openeye Name: 5-[3-(cyclopropylmethoxy)phenyl]sulfanyl-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine CAS Name: 5-[[3-(cyclopropylmethoxy)phenyl]thio]-3-(1-methyl-4-pyrazolyl)-1H-pyrrolo[2,3-b]pyridine IUPAC Name: 5-[3-(cyclopropylmethoxy)phenyl]sulfanyl-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine Traditional Name: 5-[[3-(cyclopropylmethoxy)phenyl]thio]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C2=CNC3=NC=C(C=C23)SC4=CC=CC(=C4)OCC5CC5

Isomeric SMILES

CN1C=C(C=N1)C2=CNC3=NC=C(C=C23)SC4=CC=CC(=C4)OCC5CC5

InChI

InChI=1S/C21H20N4OS/c1-25-12-15(9-24-25)20-11-23-21-19(20)8-18(10-22-21)27-17-4-2-3-16(7-17)26-13-14-5-6-14/h2-4,7-12,14H,5-6,13H2,1H3,(H,22,23)