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

Systemtic Name: 3-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-4-butyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-4-butyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(1-adamantyl)-2-oxoethyl]thio]-4-butyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-4-butyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(1-adamantyl)-2-keto-ethyl]thio]-4-butyl-1H-1,2,4-triazol-5-one Formula: C18H27N3O2S MolecularWeight: 349.49088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C18H27N3O2S/c1-2-3-4-21-16(23)19-20-17(21)24-11-15(22)18-8-12-5-13(9-18)7-14(6-12)10-18/h12-14H,2-11H2,1H3,(H,19,23)