1-(1-adamantyl)-2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone

Systemtic Name: 1-(1-adamantyl)-2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[[5-(2-furylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[[5-(2-furanylmethylamino)-1,3,4-thiadiazol-2-yl]thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[[5-(2-furfurylamino)-1,3,4-thiadiazol-2-yl]thio]ethanone Formula: C19H23N3O2S2 MolecularWeight: 389.53482

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NN=C(S4)NCC5=CC=CO5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NN=C(S4)NCC5=CC=CO5

InChI

InChI=1S/C19H23N3O2S2/c23-16(19-7-12-4-13(8-19)6-14(5-12)9-19)11-25-18-22-21-17(26-18)20-10-15-2-1-3-24-15/h1-3,12-14H,4-11H2,(H,20,21)