3-(4-chloranyl-3-nitro-phenyl)-1-methyl-1H-1,2,4-triazol-1-ium; methanesulfonate

Systemtic Name: 3-(4-chloranyl-3-nitro-phenyl)-1-methyl-1H-1,2,4-triazol-1-ium; methanesulfonate Openeye Name: 3-(4-chloro-3-nitro-phenyl)-1-methyl-1H-1,2,4-triazol-1-ium; methanesulfonate CAS Name: 3-(4-chloro-3-nitrophenyl)-1-methyl-1H-1,2,4-triazol-1-ium; methanesulfonate IUPAC Name: 3-(4-chloro-3-nitrophenyl)-1-methyl-1H-1,2,4-triazol-1-ium; methanesulfonate Traditional Name: 3-(4-chloro-3-nitro-phenyl)-1-methyl-1H-1,2,4-triazol-1-ium mesylate Formula: C10H11ClN4O5S MolecularWeight: 334.73614

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C=NC(=N1)C2=CC(=C(C=C2)Cl)[N+](=O)[O-].CS(=O)(=O)[O-]

Isomeric SMILES

C[NH+]1C=NC(=N1)C2=CC(=C(C=C2)Cl)[N+](=O)[O-].CS(=O)(=O)[O-]

InChI

InChI=1S/C9H7ClN4O2.CH4O3S/c1-13-5-11-9(12-13)6-2-3-7(10)8(4-6)14(15)16;1-5(2,3)4/h2-5H,1H3;1H3,(H,2,3,4)