5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-(3-nitrophenyl)-4-phenyl-pyrazol-3-amine

Systemtic Name: 5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-(3-nitrophenyl)-4-phenyl-pyrazol-3-amine Openeye Name: 5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-(3-nitrophenyl)-4-phenyl-pyrazol-3-amine CAS Name: 5-[(1H-benzimidazol-2-ylthio)methyl]-2-(3-nitrophenyl)-4-phenyl-3-pyrazolamine IUPAC Name: 5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-(3-nitrophenyl)-4-phenylpyrazol-3-amine Traditional Name: [5-[(1H-benzimidazol-2-ylthio)methyl]-2-(3-nitrophenyl)-4-phenyl-pyrazol-3-yl]amine Formula: C23H18N6O2S MolecularWeight: 442.49302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(N=C2CSC3=NC4=CC=CC=C4N3)C5=CC(=CC=C5)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(N=C2CSC3=NC4=CC=CC=C4N3)C5=CC(=CC=C5)[N+](=O)[O-])N

InChI

InChI=1S/C23H18N6O2S/c24-22-21(15-7-2-1-3-8-15)20(14-32-23-25-18-11-4-5-12-19(18)26-23)27-28(22)16-9-6-10-17(13-16)29(30)31/h1-13H,14,24H2,(H,25,26)