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

Systemtic Name: N-tert-butyl-4-phenyl-2-phenylsulfanyl-3-(2-prop-2-enylphenyl)-1,3-thiazol-3-ium-5-amine Openeye Name: 3-(2-allylphenyl)-N-tert-butyl-4-phenyl-2-phenylsulfanyl-thiazol-3-ium-5-amine CAS Name: N-tert-butyl-4-phenyl-2-(phenylthio)-3-(2-prop-2-enylphenyl)-5-thiazol-3-iumamine IUPAC Name: N-tert-butyl-4-phenyl-2-phenylsulfanyl-3-(2-prop-2-enylphenyl)-1,3-thiazol-3-ium-5-amine Traditional Name: [3-(2-allylphenyl)-4-phenyl-2-(phenylthio)thiazol-3-ium-5-yl]-tert-butyl-amine Formula: C28H29N2S2+ MolecularWeight: 457.67326

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C28H29N2S2/c1-5-14-21-15-12-13-20-24(21)30-25(22-16-8-6-9-17-22)26(29-28(2,3)4)32-27(30)31-23-18-10-7-11-19-23/h5-13,15-20,29H,1,14H2,2-4H3/q+1