3-(3-bromanyl-1,2,4-triazol-1-yl)-N-(4,5-dihydro-1,3-thiazol-2-yl)adamantane-1-carboxamide

Systemtic Name: 3-(3-bromanyl-1,2,4-triazol-1-yl)-N-(4,5-dihydro-1,3-thiazol-2-yl)adamantane-1-carboxamide Openeye Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-(4,5-dihydrothiazol-2-yl)adamantane-1-carboxamide CAS Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-(4,5-dihydrothiazol-2-yl)-1-adamantanecarboxamide IUPAC Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-(4,5-dihydro-1,3-thiazol-2-yl)adamantane-1-carboxamide Traditional Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-(2-thiazolin-2-yl)adamantane-1-carboxamide Formula: C16H20BrN5OS MolecularWeight: 410.3319

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=N1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Br

Isomeric SMILES

C1CSC(=N1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Br

InChI

InChI=1S/C16H20BrN5OS/c17-13-19-9-22(21-13)16-6-10-3-11(7-16)5-15(4-10,8-16)12(23)20-14-18-1-2-24-14/h9-11H,1-8H2,(H,18,20,23)