N-(6-imidazol-1-ylpyridin-3-yl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide

Systemtic Name: N-(6-imidazol-1-ylpyridin-3-yl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide Openeye Name: N-(6-imidazol-1-yl-3-pyridyl)-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide CAS Name: N-[6-(1-imidazolyl)-3-pyridinyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide IUPAC Name: N-(6-imidazol-1-ylpyridin-3-yl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide Traditional Name: N-(6-imidazol-1-yl-3-pyridyl)-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide Formula: C21H16N4OS MolecularWeight: 372.44294

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)NC4=CN=C(C=C4)N5C=CN=C5

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)NC4=CN=C(C=C4)N5C=CN=C5

InChI

InChI=1S/C21H16N4OS/c26-21(24-16-7-8-19(23-12-16)25-10-9-22-13-25)18-11-15-6-5-14-3-1-2-4-17(14)20(15)27-18/h1-4,7-13H,5-6H2,(H,24,26)