N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3-bromanyl-N-methyl-benzamide

Systemtic Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3-bromanyl-N-methyl-benzamide Openeye Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3-bromo-N-methyl-benzamide CAS Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3-bromo-N-methylbenzamide IUPAC Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3-bromo-N-methylbenzamide Traditional Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3-bromo-N-methyl-benzamide Formula: C20H22BrN3OS MolecularWeight: 432.37718

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=NN=C(S1)C23CC4CC(C2)CC(C4)C3)C(=O)C5=CC(=CC=C5)Br

Isomeric SMILES

CN(C1=NN=C(S1)C23CC4CC(C2)CC(C4)C3)C(=O)C5=CC(=CC=C5)Br

InChI

InChI=1S/C20H22BrN3OS/c1-24(17(25)15-3-2-4-16(21)8-15)19-23-22-18(26-19)20-9-12-5-13(10-20)7-14(6-12)11-20/h2-4,8,12-14H,5-7,9-11H2,1H3