3-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one

Systemtic Name: 3-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one Openeye Name: 3-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one CAS Name: 3-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-2-azepanone IUPAC Name: 3-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one Traditional Name: 3-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]azepan-2-one Formula: C13H20N4OS MolecularWeight: 280.3891

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=NC(=NN2)SC3CCCCNC3=O

Isomeric SMILES

C1CCC(C1)C2=NC(=NN2)SC3CCCCNC3=O

InChI

InChI=1S/C13H20N4OS/c18-12-10(7-3-4-8-14-12)19-13-15-11(16-17-13)9-5-1-2-6-9/h9-10H,1-8H2,(H,14,18)(H,15,16,17)