3-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[1-(1-azepanyl)-1-oxopropan-2-yl]thio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[1-(azepan-1-yl)-1-oxopropan-2-yl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(azepan-1-yl)-2-keto-1-methyl-ethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C14H24N4O2S MolecularWeight: 312.43096

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SC(C)C(=O)N2CCCCCC2

Isomeric SMILES

CCCN1C(=O)NN=C1SC(C)C(=O)N2CCCCCC2

InChI

InChI=1S/C14H24N4O2S/c1-3-8-18-13(20)15-16-14(18)21-11(2)12(19)17-9-6-4-5-7-10-17/h11H,3-10H2,1-2H3,(H,15,20)