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

Systemtic Name: N-(5-bromanyl-1,3-thiazol-2-yl)-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide Openeye Name: N-(5-bromothiazol-2-yl)-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide CAS Name: N-(5-bromo-2-thiazolyl)-3-(3-nitro-1,2,4-triazol-1-yl)-1-adamantanecarboxamide IUPAC Name: N-(5-bromo-1,3-thiazol-2-yl)-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide Traditional Name: N-(5-bromothiazol-2-yl)-3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxamide Formula: C16H17BrN6O3S MolecularWeight: 453.31358

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)N4C=NC(=N4)[N+](=O)[O-])C(=O)NC5=NC=C(S5)Br

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)N4C=NC(=N4)[N+](=O)[O-])C(=O)NC5=NC=C(S5)Br

InChI

InChI=1S/C16H17BrN6O3S/c17-11-6-18-14(27-11)20-12(24)15-2-9-1-10(3-15)5-16(4-9,7-15)22-8-19-13(21-22)23(25)26/h6,8-10H,1-5,7H2,(H,18,20,24)