3-(benzotriazol-1-yl)-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propanamide

Systemtic Name: 3-(benzotriazol-1-yl)-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propanamide Openeye Name: 3-(benzotriazol-1-yl)-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propanamide CAS Name: 3-(1-benzotriazolyl)-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propanamide IUPAC Name: 3-(benzotriazol-1-yl)-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propanamide Traditional Name: 3-(benzotriazol-1-yl)-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propionamide Formula: C20H17N5OS MolecularWeight: 375.44688

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C31)N=C(S2)NC(=O)CCN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)N=C(S2)NC(=O)CCN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C20H17N5OS/c26-18(11-12-25-16-8-4-3-7-15(16)23-24-25)21-20-22-19-14-6-2-1-5-13(14)9-10-17(19)27-20/h1-8H,9-12H2,(H,21,22,26)