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

Systemtic Name: 5-(4-chlorophenyl)-4-methylsulfanyl-3-(4-nitrophenyl)-1,3-thiazol-3-ium tetrafluoroborate Openeye Name: 5-(4-chlorophenyl)-4-methylsulfanyl-3-(4-nitrophenyl)thiazol-3-ium tetrafluoroborate CAS Name: 5-(4-chlorophenyl)-4-(methylthio)-3-(4-nitrophenyl)thiazol-3-ium tetrafluoroborate IUPAC Name: 5-(4-chlorophenyl)-4-methylsulfanyl-3-(4-nitrophenyl)-1,3-thiazol-3-ium tetrafluoroborate Traditional Name: 5-(4-chlorophenyl)-4-(methylthio)-3-(4-nitrophenyl)thiazol-3-ium tetrafluoroborate Formula: C16H12BClF4N2O2S2 MolecularWeight: 450.666293

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClN2O2S2.BF4/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;2-1(3,4)5/h2-10H,1H3;/q+1;-1