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

Systemtic Name: N-tert-butyl-4-(4-methoxyphenyl)-2-phenylsulfanyl-3-(2-prop-2-enylphenyl)-1,3-thiazol-3-ium-5-amine chloride Openeye Name: 3-(2-allylphenyl)-N-tert-butyl-4-(4-methoxyphenyl)-2-phenylsulfanyl-thiazol-3-ium-5-amine chloride CAS Name: N-tert-butyl-4-(4-methoxyphenyl)-2-(phenylthio)-3-(2-prop-2-enylphenyl)-5-thiazol-3-iumamine chloride IUPAC Name: N-tert-butyl-4-(4-methoxyphenyl)-2-phenylsulfanyl-3-(2-prop-2-enylphenyl)-1,3-thiazol-3-ium-5-amine chloride Traditional Name: [3-(2-allylphenyl)-4-(4-methoxyphenyl)-2-(phenylthio)thiazol-3-ium-5-yl]-tert-butyl-amine chloride Formula: C29H31ClN2OS2 MolecularWeight: 523.15224

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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=C3CC=C)C4=CC=C(C=C4)OC.[Cl-]

Isomeric SMILES

CC(C)(C)NC1=C([N+](=C(S1)SC2=CC=CC=C2)C3=CC=CC=C3CC=C)C4=CC=C(C=C4)OC.[Cl-]

InChI

InChI=1S/C29H31N2OS2.ClH/c1-6-12-21-13-10-11-16-25(21)31-26(22-17-19-23(32-5)20-18-22)27(30-29(2,3)4)34-28(31)33-24-14-8-7-9-15-24;/h6-11,13-20,30H,1,12H2,2-5H3;1H/q+1;/p-1