N-[3-(1-adamantylsulfanyl)-1,2,4-thiadiazol-5-yl]-2-(3-methylphenoxy)ethanamide

Systemtic Name: N-[3-(1-adamantylsulfanyl)-1,2,4-thiadiazol-5-yl]-2-(3-methylphenoxy)ethanamide Openeye Name: N-[3-(1-adamantylsulfanyl)-1,2,4-thiadiazol-5-yl]-2-(3-methylphenoxy)acetamide CAS Name: N-[3-(1-adamantylthio)-1,2,4-thiadiazol-5-yl]-2-(3-methylphenoxy)acetamide IUPAC Name: N-[3-(1-adamantylsulfanyl)-1,2,4-thiadiazol-5-yl]-2-(3-methylphenoxy)acetamide Traditional Name: N-[3-(1-adamantylthio)-1,2,4-thiadiazol-5-yl]-2-(3-methylphenoxy)acetamide Formula: C21H25N3O2S2 MolecularWeight: 415.5721

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)NC2=NC(=NS2)SC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)NC2=NC(=NS2)SC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H25N3O2S2/c1-13-3-2-4-17(5-13)26-12-18(25)22-19-23-20(24-28-19)27-21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,14-16H,6-12H2,1H3,(H,22,23,24,25)