N-[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide Openeye Name: N-[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide CAS Name: N-[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide Traditional Name: N-[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC2=NN=C(S2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC2=NN=C(S2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H27N3O2S/c1-13-3-4-14(2)18(5-13)27-12-19-24-25-21(28-19)23-20(26)22-9-15-6-16(10-22)8-17(7-15)11-22/h3-5,15-17H,6-12H2,1-2H3,(H,23,25,26)