N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-4-(phenoxymethyl)thiophene-2-carboxamide

Systemtic Name: N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-4-(phenoxymethyl)thiophene-2-carboxamide Openeye Name: N-[1-[(2-chloro-6-fluoro-phenyl)methyl]pyrazol-3-yl]-4-(phenoxymethyl)thiophene-2-carboxamide CAS Name: N-[1-[(2-chloro-6-fluorophenyl)methyl]-3-pyrazolyl]-4-(phenoxymethyl)-2-thiophenecarboxamide IUPAC Name: N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-(phenoxymethyl)thiophene-2-carboxamide Traditional Name: N-[1-(2-chloro-6-fluoro-benzyl)pyrazol-3-yl]-4-(phenoxymethyl)thiophene-2-carboxamide Formula: C22H17ClFN3O2S MolecularWeight: 441.905683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=CSC(=C2)C(=O)NC3=NN(C=C3)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1=CC=C(C=C1)OCC2=CSC(=C2)C(=O)NC3=NN(C=C3)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C22H17ClFN3O2S/c23-18-7-4-8-19(24)17(18)12-27-10-9-21(26-27)25-22(28)20-11-15(14-30-20)13-29-16-5-2-1-3-6-16/h1-11,14H,12-13H2,(H,25,26,28)