N-(4-chloranyl-2,5-dimethoxy-phenyl)-1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-1-phenyl-3-thiophen-2-yl-4-pyrazolecarboxamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide Formula: C22H18ClN3O3S MolecularWeight: 439.91462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)OC)Cl

InChI

InChI=1S/C22H18ClN3O3S/c1-28-18-12-17(19(29-2)11-16(18)23)24-22(27)15-13-26(14-7-4-3-5-8-14)25-21(15)20-9-6-10-30-20/h3-13H,1-2H3,(H,24,27)