2-[1-(phenylsulfonyl)-2,3-dihydropyrrolo[2,3-b]pyridin-3-yl]ethanenitrile

Systemtic Name: 2-[1-(phenylsulfonyl)-2,3-dihydropyrrolo[2,3-b]pyridin-3-yl]ethanenitrile Openeye Name: 2-[1-(benzenesulfonyl)-2,3-dihydropyrrolo[2,3-b]pyridin-3-yl]acetonitrile CAS Name: 2-[1-(benzenesulfonyl)-2,3-dihydropyrrolo[2,3-b]pyridin-3-yl]acetonitrile IUPAC Name: 2-[1-(benzenesulfonyl)-2,3-dihydropyrrolo[2,3-b]pyridin-3-yl]acetonitrile Traditional Name: 2-(1-besyl-2,3-dihydropyrrolo[2,3-b]pyridin-3-yl)acetonitrile Formula: C15H13N3O2S MolecularWeight: 299.34762

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(N1S(=O)(=O)C3=CC=CC=C3)N=CC=C2)CC#N

Isomeric SMILES

C1C(C2=C(N1S(=O)(=O)C3=CC=CC=C3)N=CC=C2)CC#N

InChI

InChI=1S/C15H13N3O2S/c16-9-8-12-11-18(15-14(12)7-4-10-17-15)21(19,20)13-5-2-1-3-6-13/h1-7,10,12H,8,11H2