2-methyl-3-naphthalen-2-ylsulfanyl-5-phenyl-1,2-thiazol-2-ium; molecular iodine; iodide

Systemtic Name: 2-methyl-3-naphthalen-2-ylsulfanyl-5-phenyl-1,2-thiazol-2-ium; molecular iodine; iodide Openeye Name: 2-methyl-3-(2-naphthylsulfanyl)-5-phenyl-isothiazol-2-ium; molecular iodine; iodide CAS Name: 2-methyl-3-(2-naphthalenylthio)-5-phenylisothiazol-2-ium; molecular iodine; iodide IUPAC Name: 2-methyl-3-naphthalen-2-ylsulfanyl-5-phenyl-1,2-thiazol-2-ium; molecular iodine; iodide Traditional Name: 2-methyl-3-(2-naphthylthio)-5-phenyl-isothiazol-2-ium; molecular iodine; iodide Formula: C20H16I3NS2 MolecularWeight: 715.19115

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=C(S1)C2=CC=CC=C2)SC3=CC4=CC=CC=C4C=C3.[I-].II

Isomeric SMILES

C[N+]1=C(C=C(S1)C2=CC=CC=C2)SC3=CC4=CC=CC=C4C=C3.[I-].II

InChI

InChI=1S/C20H16NS2.I2.HI/c1-21-20(14-19(23-21)16-8-3-2-4-9-16)22-18-12-11-15-7-5-6-10-17(15)13-18;1-2;/h2-14H,1H3;;1H/q+1;;/p-1