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

Systemtic Name: 3-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-butyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(azocan-1-yl)-2-oxo-ethyl]sulfanyl-4-butyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(1-azocanyl)-2-oxoethyl]thio]-4-butyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(azocan-1-yl)-2-oxoethyl]sulfanyl-4-butyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(azocan-1-yl)-2-keto-ethyl]thio]-4-butyl-1H-1,2,4-triazol-5-one Formula: C15H26N4O2S MolecularWeight: 326.45754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)N2CCCCCCC2

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)N2CCCCCCC2

InChI

InChI=1S/C15H26N4O2S/c1-2-3-11-19-14(21)16-17-15(19)22-12-13(20)18-9-7-5-4-6-8-10-18/h2-12H2,1H3,(H,16,21)