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

Systemtic Name: 3-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(1-adamantyl)-2-oxoethyl]thio]-4-cyclopropyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(1-adamantyl)-2-keto-ethyl]thio]-4-cyclopropyl-1H-1,2,4-triazol-5-one Formula: C17H23N3O2S MolecularWeight: 333.44842

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)NN=C2SCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CC1N2C(=O)NN=C2SCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C17H23N3O2S/c21-14(9-23-16-19-18-15(22)20(16)13-1-2-13)17-6-10-3-11(7-17)5-12(4-10)8-17/h10-13H,1-9H2,(H,18,22)