[[3-(2-chloranyl-6-nitro-phenyl)sulfanyl-1H-1,2,4-triazol-5-yl]amino]methylidene-dimethyl-azanium

Systemtic Name: [[3-(2-chloranyl-6-nitro-phenyl)sulfanyl-1H-1,2,4-triazol-5-yl]amino]methylidene-dimethyl-azanium Openeye Name: [[3-(2-chloro-6-nitro-phenyl)sulfanyl-1H-1,2,4-triazol-5-yl]amino]methylene-dimethyl-ammonium CAS Name: [[3-[(2-chloro-6-nitrophenyl)thio]-1H-1,2,4-triazol-5-yl]amino]methylidene-dimethylammonium IUPAC Name: [[3-(2-chloro-6-nitrophenyl)sulfanyl-1H-1,2,4-triazol-5-yl]amino]methylidene-dimethylazanium Traditional Name: [[3-[(2-chloro-6-nitro-phenyl)thio]-1H-1,2,4-triazol-5-yl]amino]methylene-dimethyl-ammonium Formula: C11H12ClN6O2S+ MolecularWeight: 327.76998

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](=CNC1=NC(=NN1)SC2=C(C=CC=C2Cl)[N+](=O)[O-])C

Isomeric SMILES

C[N+](=CNC1=NC(=NN1)SC2=C(C=CC=C2Cl)[N+](=O)[O-])C

InChI

InChI=1S/C11H11ClN6O2S/c1-17(2)6-13-10-14-11(16-15-10)21-9-7(12)4-3-5-8(9)18(19)20/h3-6H,1-2H3,(H,14,15,16)/p+1