N-tert-butyl-4-phenyl-2-phenylsulfanyl-3-(2-prop-2-enoxyphenyl)-1,3-thiazol-3-ium-5-amine chloride

Systemtic Name: N-tert-butyl-4-phenyl-2-phenylsulfanyl-3-(2-prop-2-enoxyphenyl)-1,3-thiazol-3-ium-5-amine chloride Openeye Name: 3-(2-allyloxyphenyl)-N-tert-butyl-4-phenyl-2-phenylsulfanyl-thiazol-3-ium-5-amine chloride CAS Name: N-tert-butyl-4-phenyl-2-(phenylthio)-3-(2-prop-2-enoxyphenyl)-5-thiazol-3-iumamine chloride IUPAC Name: N-tert-butyl-4-phenyl-2-phenylsulfanyl-3-(2-prop-2-enoxyphenyl)-1,3-thiazol-3-ium-5-amine chloride Traditional Name: [3-(2-allyloxyphenyl)-4-phenyl-2-(phenylthio)thiazol-3-ium-5-yl]-tert-butyl-amine chloride Formula: C28H29ClN2OS2 MolecularWeight: 509.12566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=C([N+](=C(S1)SC2=CC=CC=C2)C3=CC=CC=C3OCC=C)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC(C)(C)NC1=C([N+](=C(S1)SC2=CC=CC=C2)C3=CC=CC=C3OCC=C)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C28H29N2OS2.ClH/c1-5-20-31-24-19-13-12-18-23(24)30-25(21-14-8-6-9-15-21)26(29-28(2,3)4)33-27(30)32-22-16-10-7-11-17-22;/h5-19,29H,1,20H2,2-4H3;1H/q+1;/p-1