5-(4-chlorophenyl)-4-methylsulfanyl-3-(4-nitrophenyl)-1,3-thiazol-3-ium iodide

Systemtic Name: 5-(4-chlorophenyl)-4-methylsulfanyl-3-(4-nitrophenyl)-1,3-thiazol-3-ium iodide Openeye Name: 5-(4-chlorophenyl)-4-methylsulfanyl-3-(4-nitrophenyl)thiazol-3-ium iodide CAS Name: 5-(4-chlorophenyl)-4-(methylthio)-3-(4-nitrophenyl)thiazol-3-ium iodide IUPAC Name: 5-(4-chlorophenyl)-4-methylsulfanyl-3-(4-nitrophenyl)-1,3-thiazol-3-ium iodide Traditional Name: 5-(4-chlorophenyl)-4-(methylthio)-3-(4-nitrophenyl)thiazol-3-ium iodide Formula: C16H12ClIN2O2S2 MolecularWeight: 490.76615

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(SC=[N+]1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)Cl.[I-]

Isomeric SMILES

CSC1=C(SC=[N+]1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)Cl.[I-]

InChI

InChI=1S/C16H12ClN2O2S2.HI/c1-22-16-15(11-2-4-12(17)5-3-11)23-10-18(16)13-6-8-14(9-7-13)19(20)21;/h2-10H,1H3;1H/q+1;/p-1