1-[4-[(4-chlorophenyl)methylsulfanyl]-3-nitro-phenyl]-N-[(4-nitrophenyl)methoxy]methanimine

Systemtic Name: 1-[4-[(4-chlorophenyl)methylsulfanyl]-3-nitro-phenyl]-N-[(4-nitrophenyl)methoxy]methanimine Openeye Name: 1-[4-[(4-chlorophenyl)methylsulfanyl]-3-nitro-phenyl]-N-[(4-nitrophenyl)methoxy]methanimine CAS Name: 1-[4-[(4-chlorophenyl)methylthio]-3-nitrophenyl]-N-[(4-nitrophenyl)methoxy]methanimine IUPAC Name: 1-[4-[(4-chlorophenyl)methylsulfanyl]-3-nitrophenyl]-N-[(4-nitrophenyl)methoxy]methanimine Traditional Name: (E)-[4-[(4-chlorobenzyl)thio]-3-nitro-benzylidene]-(4-nitrobenzyl)oxy-amine Formula: C21H16ClN3O5S MolecularWeight: 457.88684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CON=CC2=CC(=C(C=C2)SCC3=CC=C(C=C3)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CO/N=C/C2=CC(=C(C=C2)SCC3=CC=C(C=C3)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H16ClN3O5S/c22-18-6-1-16(2-7-18)14-31-21-10-5-17(11-20(21)25(28)29)12-23-30-13-15-3-8-19(9-4-15)24(26)27/h1-12H,13-14H2/b23-12+