3-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(1-adamantyl)-2-oxoethyl]thio]-4-methyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(1-adamantyl)-2-keto-ethyl]thio]-4-methyl-1H-1,2,4-triazol-5-one Formula: C15H21N3O2S MolecularWeight: 307.41114

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)NN=C1SCC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CN1C(=O)NN=C1SCC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C15H21N3O2S/c1-18-13(20)16-17-14(18)21-8-12(19)15-5-9-2-10(6-15)4-11(3-9)7-15/h9-11H,2-8H2,1H3,(H,16,20)