[[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-(prop-2-enylamino)methylidene]-phenethyl-(phenylmethyl)azanium

Systemtic Name: [[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-(prop-2-enylamino)methylidene]-phenethyl-(phenylmethyl)azanium Openeye Name: [(allylamino)-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyl-methylene]-benzyl-phenethyl-ammonium CAS Name: [[[2-(4-nitrophenyl)-2-oxoethyl]thio]-(prop-2-enylamino)methylidene]-phenethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-(prop-2-enylamino)methylidene]-phenethylazanium Traditional Name: [(allylamino)-[[2-keto-2-(4-nitrophenyl)ethyl]thio]methylene]-benzyl-phenethyl-ammonium Formula: C27H28N3O3S+ MolecularWeight: 474.59452

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=[N+](CCC1=CC=CC=C1)CC2=CC=CC=C2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C=CCNC(=[N+](CCC1=CC=CC=C1)CC2=CC=CC=C2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C27H27N3O3S/c1-2-18-28-27(34-21-26(31)24-13-15-25(16-14-24)30(32)33)29(20-23-11-7-4-8-12-23)19-17-22-9-5-3-6-10-22/h2-16H,1,17-21H2/p+1