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

Systemtic Name: 3-[(2R)-1-(1-adamantyl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(1R)-2-(1-adamantyl)-1-methyl-2-oxo-ethyl]sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[(2R)-1-(1-adamantyl)-1-oxopropan-2-yl]thio]-4-cyclopropyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(2R)-1-(1-adamantyl)-1-oxopropan-2-yl]sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[(1R)-2-(1-adamantyl)-2-keto-1-methyl-ethyl]thio]-4-cyclopropyl-1H-1,2,4-triazol-5-one Formula: C18H25N3O2S MolecularWeight: 347.475

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NNC(=O)N4C5CC5

Isomeric SMILES

C[C@H](C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NNC(=O)N4C5CC5

InChI

InChI=1S/C18H25N3O2S/c1-10(24-17-20-19-16(23)21(17)14-2-3-14)15(22)18-7-11-4-12(8-18)6-13(5-11)9-18/h10-14H,2-9H2,1H3,(H,19,23)/t10-,11?,12?,13?,18?/m1/s1