3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)azepan-2-one

Systemtic Name: 3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)azepan-2-one Openeye Name: 3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)azepan-2-one CAS Name: 3-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)-2-azepanone IUPAC Name: 3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)azepan-2-one Traditional Name: 3-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)azepan-2-one Formula: C12H14N4OS MolecularWeight: 262.33076

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SC2=NN=C3N2C=CC=C3

Isomeric SMILES

C1CCNC(=O)C(C1)SC2=NN=C3N2C=CC=C3

InChI

InChI=1S/C12H14N4OS/c17-11-9(5-1-3-7-13-11)18-12-15-14-10-6-2-4-8-16(10)12/h2,4,6,8-9H,1,3,5,7H2,(H,13,17)