(2-nitrophenyl)sulfanyl-(phenylmethyl)-[[(phenylmethyl)amino]methylidene]azanium

Systemtic Name: (2-nitrophenyl)sulfanyl-(phenylmethyl)-[[(phenylmethyl)amino]methylidene]azanium Openeye Name: benzyl-[(benzylamino)methylene]-(2-nitrophenyl)sulfanyl-ammonium CAS Name: [(2-nitrophenyl)thio]-(phenylmethyl)-[[(phenylmethyl)amino]methylidene]ammonium IUPAC Name: benzyl-[(benzylamino)methylidene]-(2-nitrophenyl)sulfanylazanium Traditional Name: benzyl-[(benzylamino)methylene]-[(2-nitrophenyl)thio]ammonium Formula: C21H20N3O2S+ MolecularWeight: 378.4674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O2S/c25-24(26)20-13-7-8-14-21(20)27-23(16-19-11-5-2-6-12-19)17-22-15-18-9-3-1-4-10-18/h1-14,17H,15-16H2/p+1