3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylsulfanylmethyl)-1H-pyrrolo[2,3-b]pyridine

Systemtic Name: 3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylsulfanylmethyl)-1H-pyrrolo[2,3-b]pyridine Openeye Name: 3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylsulfanylmethyl)-1H-pyrrolo[2,3-b]pyridine CAS Name: 3-[(1H-pyrrolo[2,3-b]pyridin-3-ylmethylthio)methyl]-1H-pyrrolo[2,3-b]pyridine IUPAC Name: 3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylsulfanylmethyl)-1H-pyrrolo[2,3-b]pyridine Traditional Name: 3-[(1H-pyrrolo[2,3-b]pyridin-3-ylmethylthio)methyl]-1H-pyrrolo[2,3-b]pyridine Formula: C16H14N4S MolecularWeight: 294.37416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(NC=C2CSCC3=CNC4=C3C=CC=N4)N=C1

Isomeric SMILES

C1=CC2=C(NC=C2CSCC3=CNC4=C3C=CC=N4)N=C1

InChI

InChI=1S/C16H14N4S/c1-3-13-11(7-19-15(13)17-5-1)9-21-10-12-8-20-16-14(12)4-2-6-18-16/h1-8H,9-10H2,(H,17,19)(H,18,20)