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

Systemtic Name: N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide Openeye Name: N-[4-(3-pyridyl)thiazol-2-yl]-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide CAS Name: N-[4-(3-pyridinyl)-2-thiazolyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide IUPAC Name: N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide Traditional Name: N-[4-(3-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=CN=CC=C5

Isomeric SMILES

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

InChI

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