N-[4-(cyanomethoxy)phenyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide

Systemtic Name: N-[4-(cyanomethoxy)phenyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide Openeye Name: N-[4-(cyanomethoxy)phenyl]-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide CAS Name: N-[4-(cyanomethoxy)phenyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide IUPAC Name: N-[4-(cyanomethoxy)phenyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide Traditional Name: N-[4-(cyanomethoxy)phenyl]-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide Formula: C21H16N2O2S MolecularWeight: 360.42894

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)NC4=CC=C(C=C4)OCC#N

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)NC4=CC=C(C=C4)OCC#N

InChI

InChI=1S/C21H16N2O2S/c22-11-12-25-17-9-7-16(8-10-17)23-21(24)19-13-15-6-5-14-3-1-2-4-18(14)20(15)26-19/h1-4,7-10,13H,5-6,12H2,(H,23,24)