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

Systemtic Name: N-tert-butyl-3-methyl-4-phenyl-2-phenylsulfanyl-1,3-thiazol-3-ium-5-amine chloride Openeye Name: N-tert-butyl-3-methyl-4-phenyl-2-phenylsulfanyl-thiazol-3-ium-5-amine chloride CAS Name: N-tert-butyl-3-methyl-4-phenyl-2-(phenylthio)-5-thiazol-3-iumamine chloride IUPAC Name: N-tert-butyl-3-methyl-4-phenyl-2-phenylsulfanyl-1,3-thiazol-3-ium-5-amine chloride Traditional Name: tert-butyl-[3-methyl-4-phenyl-2-(phenylthio)thiazol-3-ium-5-yl]amine chloride Formula: C20H23ClN2S2 MolecularWeight: 390.99302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N2S2.ClH/c1-20(2,3)21-18-17(15-11-7-5-8-12-15)22(4)19(24-18)23-16-13-9-6-10-14-16;/h5-14,21H,1-4H3;1H/q+1;/p-1