(E)-[ethylsulfanyl-(heptylamino)methylidene]-heptyl-(2-nitrophenyl)sulfanyl-azanium

Systemtic Name: (E)-[ethylsulfanyl-(heptylamino)methylidene]-heptyl-(2-nitrophenyl)sulfanyl-azanium Openeye Name: (E)-[ethylsulfanyl-(heptylamino)methylene]-heptyl-(2-nitrophenyl)sulfanyl-ammonium CAS Name: (E)-[(ethylthio)-(heptylamino)methylidene]-heptyl-[(2-nitrophenyl)thio]ammonium IUPAC Name: (E)-[ethylsulfanyl-(heptylamino)methylidene]-heptyl-(2-nitrophenyl)sulfanylazanium Traditional Name: (E)-[(ethylthio)-(heptylamino)methylene]-heptyl-[(2-nitrophenyl)thio]ammonium Formula: C23H40N3O2S2+ MolecularWeight: 454.7126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=[N+](CCCCCCC)SC1=CC=CC=C1[N+](=O)[O-])SCC

Isomeric SMILES

CCCCCCCN/C(=[N+](/CCCCCCC)\SC1=CC=CC=C1[N+](=O)[O-])/SCC

InChI

InChI=1S/C23H39N3O2S2/c1-4-7-9-11-15-19-24-23(29-6-3)25(20-16-12-10-8-5-2)30-22-18-14-13-17-21(22)26(27)28/h13-14,17-18H,4-12,15-16,19-20H2,1-3H3/p+1