3-(1H-1,2,4-triazol-5-ylsulfinyl)azepan-2-one

Systemtic Name: 3-(1H-1,2,4-triazol-5-ylsulfinyl)azepan-2-one Openeye Name: 3-(1H-1,2,4-triazol-5-ylsulfinyl)azepan-2-one CAS Name: 3-(1H-1,2,4-triazol-5-ylsulfinyl)-2-azepanone IUPAC Name: 3-(1H-1,2,4-triazol-5-ylsulfinyl)azepan-2-one Traditional Name: 3-(1H-1,2,4-triazol-5-ylsulfinyl)azepan-2-one Formula: C8H12N4O2S MolecularWeight: 228.27148

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)S(=O)C2=NC=NN2

Isomeric SMILES

C1CCNC(=O)C(C1)S(=O)C2=NC=NN2

InChI

InChI=1S/C8H12N4O2S/c13-7-6(3-1-2-4-9-7)15(14)8-10-5-11-12-8/h5-6H,1-4H2,(H,9,13)(H,10,11,12)