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

Systemtic Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-benzylsulfanyl-acetamide CAS Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(phenylmethylthio)acetamide IUPAC Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-benzylsulfanylacetamide Traditional Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(benzylthio)acetamide Formula: C21H25N3OS2 MolecularWeight: 399.5727

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN=C(S4)NC(=O)CSCC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN=C(S4)NC(=O)CSCC5=CC=CC=C5

InChI

InChI=1S/C21H25N3OS2/c25-18(13-26-12-14-4-2-1-3-5-14)22-20-24-23-19(27-20)21-9-15-6-16(10-21)8-17(7-15)11-21/h1-5,15-17H,6-13H2,(H,22,24,25)