1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]azepan-2-one

Systemtic Name: 1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]azepan-2-one Openeye Name: 1-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]azepan-2-one CAS Name: 1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-azepanone IUPAC Name: 1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]azepan-2-one Traditional Name: 1-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]azepan-2-one Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC2=NC(=NO2)C3=CC=CS3

Isomeric SMILES

C1CCC(=O)N(CC1)CC2=NC(=NO2)C3=CC=CS3

InChI

InChI=1S/C13H15N3O2S/c17-12-6-2-1-3-7-16(12)9-11-14-13(15-18-11)10-5-4-8-19-10/h4-5,8H,1-3,6-7,9H2