3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]-1-piperidin-1-yl-propan-1-one

Systemtic Name: 3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]-1-piperidin-1-yl-propan-1-one Openeye Name: 3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]-1-(1-piperidyl)propan-1-one CAS Name: 3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]-1-(1-piperidinyl)-1-propanone IUPAC Name: 3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]-1-piperidin-1-ylpropan-1-one Traditional Name: 3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]-1-piperidino-propan-1-one Formula: C16H21N4OS+ MolecularWeight: 317.42914

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CCSC2=[N+](NC=N2)C3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)C(=O)CCSC2=[N+](NC=N2)C3=CC=CC=C3

InChI

InChI=1S/C16H20N4OS/c21-15(19-10-5-2-6-11-19)9-12-22-16-17-13-18-20(16)14-7-3-1-4-8-14/h1,3-4,7-8,13H,2,5-6,9-12H2/p+1