5-anthracen-9-yl-N-(4-ethylphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride

Systemtic Name: 5-anthracen-9-yl-N-(4-ethylphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride Openeye Name: 5-(9-anthryl)-N-(4-ethylphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride CAS Name: 5-(9-anthracenyl)-N-(4-ethylphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride IUPAC Name: 5-anthracen-9-yl-N-(4-ethylphenyl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride Traditional Name: [5-(9-anthryl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-yl]-(4-ethylphenyl)amine chloride Formula: C30H24ClN3S MolecularWeight: 494.04966

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=N[N+](=C(S2)C3=C4C=CC=CC4=CC5=CC=CC=C53)C6=CC=CC=C6.[Cl-]

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=N[N+](=C(S2)C3=C4C=CC=CC4=CC5=CC=CC=C53)C6=CC=CC=C6.[Cl-]

InChI

InChI=1S/C30H24N3S.ClH/c1-2-21-16-18-24(19-17-21)31-30-32-33(25-12-4-3-5-13-25)29(34-30)28-26-14-8-6-10-22(26)20-23-11-7-9-15-27(23)28;/h3-20H,2H2,1H3,(H,31,32);1H/q+1;/p-1