1-(2,4-dinitrophenyl)-3-(4-methoxyphenyl)-5-thiophen-2-yl-4H-pyrazol-1-ium

Systemtic Name: 1-(2,4-dinitrophenyl)-3-(4-methoxyphenyl)-5-thiophen-2-yl-4H-pyrazol-1-ium Openeye Name: 1-(2,4-dinitrophenyl)-3-(4-methoxyphenyl)-5-(2-thienyl)-4H-pyrazol-1-ium CAS Name: 1-(2,4-dinitrophenyl)-3-(4-methoxyphenyl)-5-thiophen-2-yl-4H-pyrazol-1-ium IUPAC Name: 1-(2,4-dinitrophenyl)-3-(4-methoxyphenyl)-5-thiophen-2-yl-4H-pyrazol-1-ium Traditional Name: 1-(2,4-dinitrophenyl)-3-(4-methoxyphenyl)-5-(2-thienyl)-4H-pyrazol-1-ium Formula: C20H15N4O5S+ MolecularWeight: 423.4219

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=N[N+](=C(C2)C3=CC=CS3)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=N[N+](=C(C2)C3=CC=CS3)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H15N4O5S/c1-29-15-7-4-13(5-8-15)16-12-19(20-3-2-10-30-20)22(21-16)17-9-6-14(23(25)26)11-18(17)24(27)28/h2-11H,12H2,1H3/q+1