2-(3-bromanyl-1-adamantyl)-N-[3-(5-methylsulfanyl-1,2,3,4-tetrazol-1-yl)phenyl]ethanamide

Systemtic Name: 2-(3-bromanyl-1-adamantyl)-N-[3-(5-methylsulfanyl-1,2,3,4-tetrazol-1-yl)phenyl]ethanamide Openeye Name: 2-(3-bromo-1-adamantyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide CAS Name: 2-(3-bromo-1-adamantyl)-N-[3-[5-(methylthio)-1-tetrazolyl]phenyl]acetamide IUPAC Name: 2-(3-bromo-1-adamantyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide Traditional Name: 2-(3-bromo-1-adamantyl)-N-[3-[5-(methylthio)tetrazol-1-yl]phenyl]acetamide Formula: C20H24BrN5OS MolecularWeight: 462.40646

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=NN1C2=CC(=CC=C2)NC(=O)CC34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

CSC1=NN=NN1C2=CC(=CC=C2)NC(=O)CC34CC5CC(C3)CC(C5)(C4)Br

InChI

InChI=1S/C20H24BrN5OS/c1-28-18-23-24-25-26(18)16-4-2-3-15(6-16)22-17(27)11-19-7-13-5-14(8-19)10-20(21,9-13)12-19/h2-4,6,13-14H,5,7-12H2,1H3,(H,22,27)