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

Systemtic Name: 3-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(1-adamantyl)-2-oxoethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(1-adamantyl)-2-keto-ethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C17H25N3O2S MolecularWeight: 335.4643

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C17H25N3O2S/c1-2-3-20-15(22)18-19-16(20)23-10-14(21)17-7-11-4-12(8-17)6-13(5-11)9-17/h11-13H,2-10H2,1H3,(H,18,22)