N-tert-butyl-3-(2,6-dimethylphenyl)-2-phenylsulfanyl-4-(2-prop-2-enoxyphenyl)-1,3-thiazol-3-ium-5-amine

Systemtic Name: N-tert-butyl-3-(2,6-dimethylphenyl)-2-phenylsulfanyl-4-(2-prop-2-enoxyphenyl)-1,3-thiazol-3-ium-5-amine Openeye Name: 4-(2-allyloxyphenyl)-N-tert-butyl-3-(2,6-dimethylphenyl)-2-phenylsulfanyl-thiazol-3-ium-5-amine CAS Name: N-tert-butyl-3-(2,6-dimethylphenyl)-2-(phenylthio)-4-(2-prop-2-enoxyphenyl)-5-thiazol-3-iumamine IUPAC Name: N-tert-butyl-3-(2,6-dimethylphenyl)-2-phenylsulfanyl-4-(2-prop-2-enoxyphenyl)-1,3-thiazol-3-ium-5-amine Traditional Name: [4-(2-allyloxyphenyl)-3-(2,6-dimethylphenyl)-2-(phenylthio)thiazol-3-ium-5-yl]-tert-butyl-amine Formula: C30H33N2OS2+ MolecularWeight: 501.72582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)[N+]2=C(SC(=C2C3=CC=CC=C3OCC=C)NC(C)(C)C)SC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C)[N+]2=C(SC(=C2C3=CC=CC=C3OCC=C)NC(C)(C)C)SC4=CC=CC=C4

InChI

InChI=1S/C30H33N2OS2/c1-7-20-33-25-19-12-11-18-24(25)27-28(31-30(4,5)6)35-29(34-23-16-9-8-10-17-23)32(27)26-21(2)14-13-15-22(26)3/h7-19,31H,1,20H2,2-6H3/q+1