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

Systemtic Name: 3-(3-bromanyl-1,2,4-triazol-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)adamantane-1-carboxamide Openeye Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-(5-methylthiazol-2-yl)adamantane-1-carboxamide CAS Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-(5-methyl-2-thiazolyl)-1-adamantanecarboxamide IUPAC Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)adamantane-1-carboxamide Traditional Name: 3-(3-bromo-1,2,4-triazol-1-yl)-N-(5-methylthiazol-2-yl)adamantane-1-carboxamide Formula: C17H20BrN5OS MolecularWeight: 422.3426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(S1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Br

Isomeric SMILES

CC1=CN=C(S1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Br

InChI

InChI=1S/C17H20BrN5OS/c1-10-7-19-15(25-10)21-13(24)16-3-11-2-12(4-16)6-17(5-11,8-16)23-9-20-14(18)22-23/h7,9,11-12H,2-6,8H2,1H3,(H,19,21,24)