3-quinolin-8-ylsulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide

Systemtic Name: 3-quinolin-8-ylsulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide Openeye Name: 3-(8-quinolylsulfanyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide CAS Name: 3-(8-quinolinylthio)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide IUPAC Name: 3-quinolin-8-ylsulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide Traditional Name: 3-(8-quinolylthio)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide Formula: C17H12N4OS MolecularWeight: 320.36838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SC3=C(NC4=C3N=CC=C4)C(=O)N)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)SC3=C(NC4=C3N=CC=C4)C(=O)N)N=CC=C2

InChI

InChI=1S/C17H12N4OS/c18-17(22)15-16(14-11(21-15)6-3-9-20-14)23-12-7-1-4-10-5-2-8-19-13(10)12/h1-9,21H,(H2,18,22)