1,5-dimethyl-2-phenyl-4-(2,4,6-trithiophen-2-ylpyridin-1-ium-1-yl)pyrazol-3-one

Systemtic Name: 1,5-dimethyl-2-phenyl-4-(2,4,6-trithiophen-2-ylpyridin-1-ium-1-yl)pyrazol-3-one Openeye Name: 1,5-dimethyl-2-phenyl-4-[2,4,6-tris(2-thienyl)pyridin-1-ium-1-yl]pyrazol-3-one CAS Name: 1,5-dimethyl-2-phenyl-4-(2,4,6-trithiophen-2-yl-1-pyridin-1-iumyl)-3-pyrazolone IUPAC Name: 1,5-dimethyl-2-phenyl-4-(2,4,6-trithiophen-2-ylpyridin-1-ium-1-yl)pyrazol-3-one Traditional Name: 1,5-dimethyl-2-phenyl-4-[2,4,6-tris(2-thienyl)pyridin-1-ium-1-yl]-3-pyrazolin-3-one Formula: C28H22N3OS3+ MolecularWeight: 512.68878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)[N+]3=C(C=C(C=C3C4=CC=CS4)C5=CC=CS5)C6=CC=CS6

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)[N+]3=C(C=C(C=C3C4=CC=CS4)C5=CC=CS5)C6=CC=CS6

InChI

InChI=1S/C28H22N3OS3/c1-19-27(28(32)31(29(19)2)21-9-4-3-5-10-21)30-22(25-12-7-15-34-25)17-20(24-11-6-14-33-24)18-23(30)26-13-8-16-35-26/h3-18H,1-2H3/q+1