4-methyl-5-(4-nitrophenyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride

Systemtic Name: 4-methyl-5-(4-nitrophenyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride Openeye Name: 4-methyl-5-(4-nitrophenyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride CAS Name: 4-methyl-5-(4-nitrophenyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride IUPAC Name: 4-methyl-5-(4-nitrophenyl)-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride Traditional Name: [4-methyl-5-(4-nitrophenyl)-1,3,4-thiadiazol-4-ium-2-yl]-phenyl-amine chloride Formula: C15H13ClN4O2S MolecularWeight: 348.80732

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC(=N1)NC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-].[Cl-]

Isomeric SMILES

C[N+]1=C(SC(=N1)NC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C15H13N4O2S.ClH/c1-18-14(11-7-9-13(10-8-11)19(20)21)22-15(17-18)16-12-5-3-2-4-6-12;/h2-10H,1H3,(H,16,17);1H/q+1;/p-1