N-[(E)-2-(3-ethyl-4,5-diphenyl-1,3-thiazol-3-ium-2-yl)ethenyl]aniline; 4-methylbenzenesulfonate

Systemtic Name: N-[(E)-2-(3-ethyl-4,5-diphenyl-1,3-thiazol-3-ium-2-yl)ethenyl]aniline; 4-methylbenzenesulfonate Openeye Name: N-[(E)-2-(3-ethyl-4,5-diphenyl-thiazol-3-ium-2-yl)vinyl]aniline; 4-methylbenzenesulfonate CAS Name: N-[(E)-2-(3-ethyl-4,5-diphenyl-2-thiazol-3-iumyl)ethenyl]aniline; 4-methylbenzenesulfonate IUPAC Name: N-[(E)-2-(3-ethyl-4,5-diphenyl-1,3-thiazol-3-ium-2-yl)ethenyl]aniline; 4-methylbenzenesulfonate Traditional Name: [(E)-2-(3-ethyl-4,5-diphenyl-thiazol-3-ium-2-yl)vinyl]-phenyl-amine tosylate Formula: C32H30N2O3S2 MolecularWeight: 554.7222

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC(=C1C2=CC=CC=C2)C3=CC=CC=C3)C=CNC4=CC=CC=C4.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C(SC(=C1C2=CC=CC=C2)C3=CC=CC=C3)/C=C/NC4=CC=CC=C4.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C25H22N2S.C7H8O3S/c1-2-27-23(18-19-26-22-16-10-5-11-17-22)28-25(21-14-8-4-9-15-21)24(27)20-12-6-3-7-13-20;1-6-2-4-7(5-3-6)11(8,9)10/h3-19H,2H2,1H3;2-5H,1H3,(H,8,9,10)