4-[(E)-2-(3-phenyl-5-phenylazanyl-1,3,4-thiadiazol-3-ium-2-yl)ethenyl]benzenecarbonitrile chloride

Systemtic Name: 4-[(E)-2-(3-phenyl-5-phenylazanyl-1,3,4-thiadiazol-3-ium-2-yl)ethenyl]benzenecarbonitrile chloride Openeye Name: 4-[(E)-2-(5-anilino-3-phenyl-1,3,4-thiadiazol-3-ium-2-yl)vinyl]benzonitrile chloride CAS Name: 4-[(E)-2-(5-anilino-3-phenyl-1,3,4-thiadiazol-3-ium-2-yl)ethenyl]benzonitrile chloride IUPAC Name: 4-[(E)-2-(5-anilino-3-phenyl-1,3,4-thiadiazol-3-ium-2-yl)ethenyl]benzonitrile chloride Traditional Name: 4-[(E)-2-(5-anilino-3-phenyl-1,3,4-thiadiazol-3-ium-2-yl)vinyl]benzonitrile chloride Formula: C23H17ClN4S MolecularWeight: 416.92588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=N[N+](=C(S2)C=CC3=CC=C(C=C3)C#N)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C23H17N4S.ClH/c24-17-19-13-11-18(12-14-19)15-16-22-27(21-9-5-2-6-10-21)26-23(28-22)25-20-7-3-1-4-8-20;/h1-16H,(H,25,26);1H/q+1;/p-1/b16-15+;