N-[4-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-4-[(3-chloranylphenoxy)methyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-4-[(3-chloranylphenoxy)methyl]thiophene-2-carboxamide Openeye Name: N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-[(3-chlorophenoxy)methyl]thiophene-2-carboxamide CAS Name: N-[4-[(4-bromo-1-pyrazolyl)methyl]phenyl]-4-[(3-chlorophenoxy)methyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-[(3-chlorophenoxy)methyl]thiophene-2-carboxamide Traditional Name: N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-[(3-chlorophenoxy)methyl]thiophene-2-carboxamide Formula: C22H17BrClN3O2S MolecularWeight: 502.81128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)OCC2=CSC(=C2)C(=O)NC3=CC=C(C=C3)CN4C=C(C=N4)Br

Isomeric SMILES

C1=CC(=CC(=C1)Cl)OCC2=CSC(=C2)C(=O)NC3=CC=C(C=C3)CN4C=C(C=N4)Br

InChI

InChI=1S/C22H17BrClN3O2S/c23-17-10-25-27(12-17)11-15-4-6-19(7-5-15)26-22(28)21-8-16(14-30-21)13-29-20-3-1-2-18(24)9-20/h1-10,12,14H,11,13H2,(H,26,28)