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

Systemtic Name: N-tert-butyl-4-phenyl-3-(phenylmethyl)-2-phenylsulfanyl-1,3-thiazol-3-ium-5-amine chloride Openeye Name: 3-benzyl-N-tert-butyl-4-phenyl-2-phenylsulfanyl-thiazol-3-ium-5-amine chloride CAS Name: N-tert-butyl-4-phenyl-3-(phenylmethyl)-2-(phenylthio)-5-thiazol-3-iumamine chloride IUPAC Name: 3-benzyl-N-tert-butyl-4-phenyl-2-phenylsulfanyl-1,3-thiazol-3-ium-5-amine chloride Traditional Name: [3-benzyl-4-phenyl-2-(phenylthio)thiazol-3-ium-5-yl]-tert-butyl-amine chloride Formula: C26H27ClN2S2 MolecularWeight: 467.08898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=C([N+](=C(S1)SC2=CC=CC=C2)CC3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC(C)(C)NC1=C([N+](=C(S1)SC2=CC=CC=C2)CC3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C26H27N2S2.ClH/c1-26(2,3)27-24-23(21-15-9-5-10-16-21)28(19-20-13-7-4-8-14-20)25(30-24)29-22-17-11-6-12-18-22;/h4-18,27H,19H2,1-3H3;1H/q+1;/p-1