3-[3-[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl]sulfanyl-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl]sulfanyl-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[2-(1-adamantyl)-1-methyl-2-oxo-ethyl]sulfanyl-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[[1-(1-adamantyl)-1-oxopropan-2-yl]thio]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[1-(1-adamantyl)-1-oxopropan-2-yl]sulfanyl-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[[2-(1-adamantyl)-2-keto-1-methyl-ethyl]thio]-5-cyclopropyl-1,2,4-triazol-4-yl]propionamide Formula: C21H30N4O2S MolecularWeight: 402.5535

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NN=C(N4CCC(=O)N)C5CC5

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NN=C(N4CCC(=O)N)C5CC5

InChI

InChI=1S/C21H30N4O2S/c1-12(18(27)21-9-13-6-14(10-21)8-15(7-13)11-21)28-20-24-23-19(16-2-3-16)25(20)5-4-17(22)26/h12-16H,2-11H2,1H3,(H2,22,26)