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

Systemtic Name: N-tert-butyl-4-(4-dimethylaminophenyl)-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-dimethylaminophenyl)-2-phenylsulfanyl-thiazol-3-ium-5-amine chloride CAS Name: N-tert-butyl-4-(4-dimethylaminophenyl)-2-(phenylthio)-3-(2-prop-2-enylphenyl)-5-thiazol-3-iumamine chloride IUPAC Name: N-tert-butyl-4-(4-dimethylaminophenyl)-2-phenylsulfanyl-3-(2-prop-2-enylphenyl)-1,3-thiazol-3-ium-5-amine chloride Traditional Name: [4-[3-(2-allylphenyl)-5-(tert-butylamino)-2-(phenylthio)thiazol-3-ium-4-yl]phenyl]-dimethyl-amine chloride Formula: C30H34ClN3S2 MolecularWeight: 536.19406

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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)N(C)C.[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)N(C)C.[Cl-]

InChI

InChI=1S/C30H34N3S2.ClH/c1-7-13-22-14-11-12-17-26(22)33-27(23-18-20-24(21-19-23)32(5)6)28(31-30(2,3)4)35-29(33)34-25-15-9-8-10-16-25;/h7-12,14-21,31H,1,13H2,2-6H3;1H/q+1;/p-1