N-[6-[4-(cyanomethyl)phenoxy]pyridin-3-yl]-2,3-dihydro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[6-[4-(cyanomethyl)phenoxy]pyridin-3-yl]-2,3-dihydro-1-benzothiophene-2-carboxamide Openeye Name: N-[6-[4-(cyanomethyl)phenoxy]-3-pyridyl]-2,3-dihydrobenzothiophene-2-carboxamide CAS Name: N-[6-[4-(cyanomethyl)phenoxy]-3-pyridinyl]-2,3-dihydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[6-[4-(cyanomethyl)phenoxy]pyridin-3-yl]-2,3-dihydro-1-benzothiophene-2-carboxamide Traditional Name: N-[6-[4-(cyanomethyl)phenoxy]-3-pyridyl]-2,3-dihydrobenzothiophene-2-carboxamide Formula: C22H17N3O2S MolecularWeight: 387.45428

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SC2=CC=CC=C21)C(=O)NC3=CN=C(C=C3)OC4=CC=C(C=C4)CC#N

Isomeric SMILES

C1C(SC2=CC=CC=C21)C(=O)NC3=CN=C(C=C3)OC4=CC=C(C=C4)CC#N

InChI

InChI=1S/C22H17N3O2S/c23-12-11-15-5-8-18(9-6-15)27-21-10-7-17(14-24-21)25-22(26)20-13-16-3-1-2-4-19(16)28-20/h1-10,14,20H,11,13H2,(H,25,26)