N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide

Systemtic Name: N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide Openeye Name: N-[4-(4-pyridyl)thiazol-2-yl]-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide CAS Name: N-(4-pyridin-4-yl-2-thiazolyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide IUPAC Name: N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide Traditional Name: N-[4-(4-pyridyl)thiazol-2-yl]-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide Formula: C21H15N3OS2 MolecularWeight: 389.4933

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)NC4=NC(=CS4)C5=CC=NC=C5

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)NC4=NC(=CS4)C5=CC=NC=C5

InChI

InChI=1S/C21H15N3OS2/c25-20(24-21-23-17(12-26-21)14-7-9-22-10-8-14)18-11-15-6-5-13-3-1-2-4-16(13)19(15)27-18/h1-4,7-12H,5-6H2,(H,23,24,25)