diethyl-[2-[2-[(2-phenyl-5-thiophen-2-yl-pyrazol-3-yl)carbonylamino]benzimidazol-1-yl]ethyl]azanium

Systemtic Name: diethyl-[2-[2-[(2-phenyl-5-thiophen-2-yl-pyrazol-3-yl)carbonylamino]benzimidazol-1-yl]ethyl]azanium Openeye Name: diethyl-[2-[2-[[2-phenyl-5-(2-thienyl)pyrazole-3-carbonyl]amino]benzimidazol-1-yl]ethyl]ammonium CAS Name: diethyl-[2-[2-[[oxo-(2-phenyl-5-thiophen-2-yl-3-pyrazolyl)methyl]amino]-1-benzimidazolyl]ethyl]ammonium IUPAC Name: diethyl-[2-[2-[(2-phenyl-5-thiophen-2-ylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]ethyl]azanium Traditional Name: diethyl-[2-[2-[[2-phenyl-5-(2-thienyl)pyrazole-3-carbonyl]amino]benzimidazol-1-yl]ethyl]ammonium Formula: C27H29N6OS+ MolecularWeight: 485.62376

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C2=CC=CC=C2N=C1NC(=O)C3=CC(=NN3C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

CC[NH+](CC)CCN1C2=CC=CC=C2N=C1NC(=O)C3=CC(=NN3C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C27H28N6OS/c1-3-31(4-2)16-17-32-23-14-9-8-13-21(23)28-27(32)29-26(34)24-19-22(25-15-10-18-35-25)30-33(24)20-11-6-5-7-12-20/h5-15,18-19H,3-4,16-17H2,1-2H3,(H,28,29,34)/p+1