(E)-N-[5-methyl-2-[1-[(3-nitrophenyl)methyl]benzimidazol-2-yl]-1H-pyrazol-2-ium-3-yl]-3-thiophen-2-yl-prop-2-enamide

Systemtic Name: (E)-N-[5-methyl-2-[1-[(3-nitrophenyl)methyl]benzimidazol-2-yl]-1H-pyrazol-2-ium-3-yl]-3-thiophen-2-yl-prop-2-enamide Openeye Name: (E)-N-[5-methyl-2-[1-[(3-nitrophenyl)methyl]benzimidazol-2-yl]-1H-pyrazol-2-ium-3-yl]-3-(2-thienyl)prop-2-enamide CAS Name: (E)-N-[5-methyl-2-[1-[(3-nitrophenyl)methyl]-2-benzimidazolyl]-1H-pyrazol-2-ium-3-yl]-3-thiophen-2-yl-2-propenamide IUPAC Name: (E)-N-[5-methyl-2-[1-[(3-nitrophenyl)methyl]benzimidazol-2-yl]-1H-pyrazol-2-ium-3-yl]-3-thiophen-2-ylprop-2-enamide Traditional Name: (E)-N-[5-methyl-2-[1-(3-nitrobenzyl)benzimidazol-2-yl]-1H-pyrazol-2-ium-3-yl]-3-(2-thienyl)acrylamide Formula: C25H21N6O3S+ MolecularWeight: 485.53764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](N1)C2=NC3=CC=CC=C3N2CC4=CC(=CC=C4)[N+](=O)[O-])NC(=O)C=CC5=CC=CS5

Isomeric SMILES

CC1=CC(=[N+](N1)C2=NC3=CC=CC=C3N2CC4=CC(=CC=C4)[N+](=O)[O-])NC(=O)/C=C/C5=CC=CS5

InChI

InChI=1S/C25H20N6O3S/c1-17-14-23(27-24(32)12-11-20-8-5-13-35-20)30(28-17)25-26-21-9-2-3-10-22(21)29(25)16-18-6-4-7-19(15-18)31(33)34/h2-15H,16H2,1H3,(H,27,28,32)/p+1/b12-11+