3-(1,3,4-thiadiazol-2-ylsulfanyl)azepan-2-one

Systemtic Name: 3-(1,3,4-thiadiazol-2-ylsulfanyl)azepan-2-one Openeye Name: 3-(1,3,4-thiadiazol-2-ylsulfanyl)azepan-2-one CAS Name: 3-(1,3,4-thiadiazol-2-ylthio)-2-azepanone IUPAC Name: 3-(1,3,4-thiadiazol-2-ylsulfanyl)azepan-2-one Traditional Name: 3-(1,3,4-thiadiazol-2-ylthio)azepan-2-one Formula: C8H11N3OS2 MolecularWeight: 229.32244

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SC2=NN=CS2

Isomeric SMILES

C1CCNC(=O)C(C1)SC2=NN=CS2

InChI

InChI=1S/C8H11N3OS2/c12-7-6(3-1-2-4-9-7)14-8-11-10-5-13-8/h5-6H,1-4H2,(H,9,12)