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

Systemtic Name: 3-[[4-(3-methoxypropyl)-5-oxidanylidene-1H-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Openeye Name: 3-[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one CAS Name: 3-[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]thio]-2-azepanone IUPAC Name: 3-[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Traditional Name: 3-[[5-keto-4-(3-methoxypropyl)-1H-1,2,4-triazol-3-yl]thio]azepan-2-one Formula: C12H20N4O3S MolecularWeight: 300.3772

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)NN=C1SC2CCCCNC2=O

Isomeric SMILES

COCCCN1C(=O)NN=C1SC2CCCCNC2=O

InChI

InChI=1S/C12H20N4O3S/c1-19-8-4-7-16-11(18)14-15-12(16)20-9-5-2-3-6-13-10(9)17/h9H,2-8H2,1H3,(H,13,17)(H,14,18)