(2,4-dinitrophenyl)sulfanyl-(phenylmethyl)-[[(phenylmethyl)amino]methylidene]azanium

Systemtic Name: (2,4-dinitrophenyl)sulfanyl-(phenylmethyl)-[[(phenylmethyl)amino]methylidene]azanium Openeye Name: benzyl-[(benzylamino)methylene]-(2,4-dinitrophenyl)sulfanyl-ammonium CAS Name: [(2,4-dinitrophenyl)thio]-(phenylmethyl)-[[(phenylmethyl)amino]methylidene]ammonium IUPAC Name: benzyl-[(benzylamino)methylidene]-(2,4-dinitrophenyl)sulfanylazanium Traditional Name: benzyl-[(benzylamino)methylene]-[(2,4-dinitrophenyl)thio]ammonium Formula: C21H19N4O4S+ MolecularWeight: 423.46496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC=[N+](CC2=CC=CC=C2)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC=[N+](CC2=CC=CC=C2)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O4S/c26-24(27)19-11-12-21(20(13-19)25(28)29)30-23(15-18-9-5-2-6-10-18)16-22-14-17-7-3-1-4-8-17/h1-13,16H,14-15H2/p+1