1-[[(E)-(4-nitrophenyl)methylideneamino]-propyl-amino]propane-2-thiol

Systemtic Name: 1-[[(E)-(4-nitrophenyl)methylideneamino]-propyl-amino]propane-2-thiol Openeye Name: 1-[[(E)-(4-nitrophenyl)methyleneamino]-propyl-amino]propane-2-thiol CAS Name: 1-[[(E)-(4-nitrophenyl)methylideneamino]-propylamino]-2-propanethiol IUPAC Name: 1-[[(E)-(4-nitrophenyl)methylideneamino]-propylamino]propane-2-thiol Traditional Name: 1-[[(E)-(4-nitrobenzylidene)amino]-propyl-amino]propane-2-thiol Formula: C13H19N3O2S MolecularWeight: 281.37386

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(C)S)N=CC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCN(CC(C)S)/N=C/C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O2S/c1-3-8-15(10-11(2)19)14-9-12-4-6-13(7-5-12)16(17)18/h4-7,9,11,19H,3,8,10H2,1-2H3/b14-9+