2-methylsulfanyl-4-phenyl-N-(phenylmethyl)-1,3-thiazol-3-ium-3-amine iodide

Systemtic Name: 2-methylsulfanyl-4-phenyl-N-(phenylmethyl)-1,3-thiazol-3-ium-3-amine iodide Openeye Name: N-benzyl-2-methylsulfanyl-4-phenyl-thiazol-3-ium-3-amine iodide CAS Name: 2-(methylthio)-4-phenyl-N-(phenylmethyl)-3-thiazol-3-iumamine iodide IUPAC Name: N-benzyl-2-methylsulfanyl-4-phenyl-1,3-thiazol-3-ium-3-amine iodide Traditional Name: benzyl-[2-(methylthio)-4-phenyl-thiazol-3-ium-3-yl]amine iodide Formula: C17H17IN2S2 MolecularWeight: 440.36475

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=[N+](C(=CS1)C2=CC=CC=C2)NCC3=CC=CC=C3.[I-]

Isomeric SMILES

CSC1=[N+](C(=CS1)C2=CC=CC=C2)NCC3=CC=CC=C3.[I-]

InChI

InChI=1S/C17H17N2S2.HI/c1-20-17-19(18-12-14-8-4-2-5-9-14)16(13-21-17)15-10-6-3-7-11-15;/h2-11,13,18H,12H2,1H3;1H/q+1;/p-1