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

Systemtic Name: 1-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]azepan-2-one Openeye Name: 1-[(2-thioxo-3H-1,3,4-oxadiazol-5-yl)methyl]azepan-2-one CAS Name: 1-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]-2-azepanone IUPAC Name: 1-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]azepan-2-one Traditional Name: 1-[(2-thioxo-3H-1,3,4-oxadiazol-5-yl)methyl]azepan-2-one Formula: C9H13N3O2S MolecularWeight: 227.28342

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC2=NNC(=S)O2

Isomeric SMILES

C1CCC(=O)N(CC1)CC2=NNC(=S)O2

InChI

InChI=1S/C9H13N3O2S/c13-8-4-2-1-3-5-12(8)6-7-10-11-9(15)14-7/h1-6H2,(H,11,15)