1-(4-nitrophenyl)sulfanyl-1-piperidin-1-yl-ethanethiol

Systemtic Name: 1-(4-nitrophenyl)sulfanyl-1-piperidin-1-yl-ethanethiol Openeye Name: 1-(4-nitrophenyl)sulfanyl-1-(1-piperidyl)ethanethiol CAS Name: 1-[(4-nitrophenyl)thio]-1-(1-piperidinyl)ethanethiol IUPAC Name: 1-(4-nitrophenyl)sulfanyl-1-piperidin-1-ylethanethiol Traditional Name: 1-[(4-nitrophenyl)thio]-1-piperidino-ethanethiol Formula: C13H18N2O2S2 MolecularWeight: 298.42422

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1CCCCC1)(S)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(N1CCCCC1)(S)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O2S2/c1-13(18,14-9-3-2-4-10-14)19-12-7-5-11(6-8-12)15(16)17/h5-8,18H,2-4,9-10H2,1H3