4-[1-(4-nitrophenyl)sulfanyl-1-sulfanyl-ethyl]piperazine-1-carbaldehyde

Systemtic Name: 4-[1-(4-nitrophenyl)sulfanyl-1-sulfanyl-ethyl]piperazine-1-carbaldehyde Openeye Name: 4-[1-(4-nitrophenyl)sulfanyl-1-sulfanyl-ethyl]piperazine-1-carbaldehyde CAS Name: 4-[1-mercapto-1-[(4-nitrophenyl)thio]ethyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[1-(4-nitrophenyl)sulfanyl-1-sulfanylethyl]piperazine-1-carbaldehyde Traditional Name: 4-[1-mercapto-1-[(4-nitrophenyl)thio]ethyl]piperazine-1-carbaldehyde Formula: C13H17N3O3S2 MolecularWeight: 327.42238

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1CCN(CC1)C=O)(S)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(N1CCN(CC1)C=O)(S)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O3S2/c1-13(20,15-8-6-14(10-17)7-9-15)21-12-4-2-11(3-5-12)16(18)19/h2-5,10,20H,6-9H2,1H3