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

Systemtic Name: 5-(4-nitrophenyl)-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine chloride Openeye Name: 5-(4-nitrophenyl)-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine chloride CAS Name: 5-(4-nitrophenyl)-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine chloride IUPAC Name: 5-(4-nitrophenyl)-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine chloride Traditional Name: [5-(4-nitrophenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-yl]-phenyl-amine chloride Formula: C20H15ClN4O2S MolecularWeight: 410.8767

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=N[N+](=C(S2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=N[N+](=C(S2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C20H15N4O2S.ClH/c25-24(26)18-13-11-15(12-14-18)19-23(17-9-5-2-6-10-17)22-20(27-19)21-16-7-3-1-4-8-16;/h1-14H,(H,21,22);1H/q+1;/p-1