methyl N-(2,4,6-triphenylpyridin-1-ium-1-yl)carbamodithioate tetrafluoroborate

Systemtic Name: methyl N-(2,4,6-triphenylpyridin-1-ium-1-yl)carbamodithioate tetrafluoroborate Openeye Name: methyl N-(2,4,6-triphenylpyridin-1-ium-1-yl)carbamodithioate tetrafluoroborate CAS Name: N-(2,4,6-triphenyl-1-pyridin-1-iumyl)carbamodithioic acid methyl ester tetrafluoroborate IUPAC Name: methyl N-(2,4,6-triphenylpyridin-1-ium-1-yl)carbamodithioate tetrafluoroborate Traditional Name: N-(2,4,6-triphenylpyridin-1-ium-1-yl)carbamodithioic acid methyl ester tetrafluoroborate Formula: C25H21BF4N2S2 MolecularWeight: 500.382253

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CSC(=S)N[N+]1=C(C=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

[B-](F)(F)(F)F.CSC(=S)N[N+]1=C(C=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H20N2S2.BF4/c1-29-25(28)26-27-23(20-13-7-3-8-14-20)17-22(19-11-5-2-6-12-19)18-24(27)21-15-9-4-10-16-21;2-1(3,4)5/h2-18H,1H3;/q;-1/p+1