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

Systemtic Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(4-chloranylphenoxy)-N-methyl-ethanamide Openeye Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(4-chlorophenoxy)-N-methyl-acetamide CAS Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(4-chlorophenoxy)-N-methylacetamide IUPAC Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(4-chlorophenoxy)-N-methylacetamide Traditional Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(4-chlorophenoxy)-N-methyl-acetamide Formula: C21H24ClN3O2S MolecularWeight: 417.95216

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=NN=C(S1)C23CC4CC(C2)CC(C4)C3)C(=O)COC5=CC=C(C=C5)Cl

Isomeric SMILES

CN(C1=NN=C(S1)C23CC4CC(C2)CC(C4)C3)C(=O)COC5=CC=C(C=C5)Cl

InChI

InChI=1S/C21H24ClN3O2S/c1-25(18(26)12-27-17-4-2-16(22)3-5-17)20-24-23-19(28-20)21-9-13-6-14(10-21)8-15(7-13)11-21/h2-5,13-15H,6-12H2,1H3