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

Systemtic Name: 4-(3-phenyl-5-phenylazanyl-1,3,4-thiadiazol-3-ium-2-yl)benzoic acid chloride Openeye Name: 4-(5-anilino-3-phenyl-1,3,4-thiadiazol-3-ium-2-yl)benzoic acid chloride CAS Name: 4-(5-anilino-3-phenyl-1,3,4-thiadiazol-3-ium-2-yl)benzoic acid chloride IUPAC Name: 4-(5-anilino-3-phenyl-1,3,4-thiadiazol-3-ium-2-yl)benzoic acid chloride Traditional Name: 4-(5-anilino-3-phenyl-1,3,4-thiadiazol-3-ium-2-yl)benzoic acid chloride Formula: C21H16ClN3O2S MolecularWeight: 409.88864

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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.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C21H15N3O2S.ClH/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);1H