4-(3-phenyl-5-phenylazanyl-1,3,4-thiadiazol-3-ium-2-yl)benzoic acid

Systemtic Name: 4-(3-phenyl-5-phenylazanyl-1,3,4-thiadiazol-3-ium-2-yl)benzoic acid Openeye Name: 4-(5-anilino-3-phenyl-1,3,4-thiadiazol-3-ium-2-yl)benzoic acid CAS Name: 4-(5-anilino-3-phenyl-1,3,4-thiadiazol-3-ium-2-yl)benzoic acid IUPAC Name: 4-(5-anilino-3-phenyl-1,3,4-thiadiazol-3-ium-2-yl)benzoic acid Traditional Name: 4-(5-anilino-3-phenyl-1,3,4-thiadiazol-3-ium-2-yl)benzoic acid Formula: C21H16N3O2S+ MolecularWeight: 374.43564

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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)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H15N3O2S/c25-20(26)16-13-11-15(12-14-16)19-24(18-9-5-2-6-10-18)23-21(27-19)22-17-7-3-1-4-8-17/h1-14H,(H-,22,23,25,26)/p+1