1-(1-adamantyl)-2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one

Systemtic Name: 1-(1-adamantyl)-2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one Openeye Name: 1-(1-adamantyl)-2-[[5-(tetrahydrofuran-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one CAS Name: 1-(1-adamantyl)-2-[[5-(2-oxolanylmethylamino)-1,3,4-thiadiazol-2-yl]thio]-1-propanone IUPAC Name: 1-(1-adamantyl)-2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one Traditional Name: 1-(1-adamantyl)-2-[[5-(tetrahydrofurfurylamino)-1,3,4-thiadiazol-2-yl]thio]propan-1-one Formula: C20H29N3O2S2 MolecularWeight: 407.59316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NN=C(S4)NCC5CCCO5

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NN=C(S4)NCC5CCCO5

InChI

InChI=1S/C20H29N3O2S2/c1-12(17(24)20-8-13-5-14(9-20)7-15(6-13)10-20)26-19-23-22-18(27-19)21-11-16-3-2-4-25-16/h12-16H,2-11H2,1H3,(H,21,22)