N-[4-[2-(2,4-dinitrophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[4-[2-(2,4-dinitrophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-[4-[2-(2,4-dinitrophenyl)-3-(2-thienyl)-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[4-[2-(2,4-dinitrophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-[4-[2-(2,4-dinitrophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-[4-[1-(2,4-dinitrophenyl)-5-(2-thienyl)-2-pyrazolin-3-yl]phenyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C26H20N6O8S2 MolecularWeight: 608.6024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=NN(C(C3)C4=CC=CS4)C5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=NN(C(C3)C4=CC=CS4)C5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C26H20N6O8S2/c1-16-4-9-20(31(35)36)14-26(16)42(39,40)28-18-7-5-17(6-8-18)21-15-24(25-3-2-12-41-25)29(27-21)22-11-10-19(30(33)34)13-23(22)32(37)38/h2-14,24,28H,15H2,1H3