3-methyl-4-phenyl-2-phenylsulfanyl-N-(2-prop-2-enoxyphenyl)-1,3-thiazol-3-ium-5-amine chloride

Systemtic Name: 3-methyl-4-phenyl-2-phenylsulfanyl-N-(2-prop-2-enoxyphenyl)-1,3-thiazol-3-ium-5-amine chloride Openeye Name: N-(2-allyloxyphenyl)-3-methyl-4-phenyl-2-phenylsulfanyl-thiazol-3-ium-5-amine chloride CAS Name: 3-methyl-4-phenyl-2-(phenylthio)-N-(2-prop-2-enoxyphenyl)-5-thiazol-3-iumamine chloride IUPAC Name: 3-methyl-4-phenyl-2-phenylsulfanyl-N-(2-prop-2-enoxyphenyl)-1,3-thiazol-3-ium-5-amine chloride Traditional Name: (2-allyloxyphenyl)-[3-methyl-4-phenyl-2-(phenylthio)thiazol-3-ium-5-yl]amine chloride Formula: C25H23ClN2OS2 MolecularWeight: 467.04592

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC(=C1C2=CC=CC=C2)NC3=CC=CC=C3OCC=C)SC4=CC=CC=C4.[Cl-]

Isomeric SMILES

C[N+]1=C(SC(=C1C2=CC=CC=C2)NC3=CC=CC=C3OCC=C)SC4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C25H23N2OS2.ClH/c1-3-18-28-22-17-11-10-16-21(22)26-24-23(19-12-6-4-7-13-19)27(2)25(30-24)29-20-14-8-5-9-15-20;/h3-17,26H,1,18H2,2H3;1H/q+1;/p-1