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

Systemtic Name: (3R)-3-(1H-1,2,4-triazol-5-ylsulfanyl)azepan-2-one Openeye Name: (3R)-3-(1H-1,2,4-triazol-5-ylsulfanyl)azepan-2-one CAS Name: (3R)-3-(1H-1,2,4-triazol-5-ylthio)-2-azepanone IUPAC Name: (3R)-3-(1H-1,2,4-triazol-5-ylsulfanyl)azepan-2-one Traditional Name: (3R)-3-(1H-1,2,4-triazol-5-ylthio)azepan-2-one Formula: C8H12N4OS MolecularWeight: 212.27208

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SC2=NC=NN2

Isomeric SMILES

C1CCNC(=O)[C@@H](C1)SC2=NC=NN2

InChI

InChI=1S/C8H12N4OS/c13-7-6(3-1-2-4-9-7)14-8-10-5-11-12-8/h5-6H,1-4H2,(H,9,13)(H,10,11,12)/t6-/m1/s1