N-(4-ethylphenyl)-4-phenyl-5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-4-ium-2-amine chloride

Systemtic Name: N-(4-ethylphenyl)-4-phenyl-5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-4-ium-2-amine chloride Openeye Name: N-(4-ethylphenyl)-4-phenyl-5-[(E)-styryl]-1,3,4-thiadiazol-4-ium-2-amine chloride CAS Name: N-(4-ethylphenyl)-4-phenyl-5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-4-ium-2-amine chloride IUPAC Name: N-(4-ethylphenyl)-4-phenyl-5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-4-ium-2-amine chloride Traditional Name: (4-ethylphenyl)-[4-phenyl-5-[(E)-styryl]-1,3,4-thiadiazol-4-ium-2-yl]amine chloride Formula: C24H22ClN3S MolecularWeight: 419.96958

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=N[N+](=C(S2)C=CC3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=N[N+](=C(S2)/C=C/C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C24H22N3S.ClH/c1-2-19-13-16-21(17-14-19)25-24-26-27(22-11-7-4-8-12-22)23(28-24)18-15-20-9-5-3-6-10-20;/h3-18H,2H2,1H3,(H,25,26);1H/q+1;/p-1/b18-15+;