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

Systemtic Name: N-[4-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-4-(phenoxymethyl)thiophene-2-carboxamide Openeye Name: N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-(phenoxymethyl)thiophene-2-carboxamide CAS Name: N-[4-[(4-bromo-1-pyrazolyl)methyl]phenyl]-4-(phenoxymethyl)-2-thiophenecarboxamide IUPAC Name: N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-(phenoxymethyl)thiophene-2-carboxamide Traditional Name: N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-(phenoxymethyl)thiophene-2-carboxamide Formula: C22H18BrN3O2S MolecularWeight: 468.36622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18BrN3O2S/c23-18-11-24-26(13-18)12-16-6-8-19(9-7-16)25-22(27)21-10-17(15-29-21)14-28-20-4-2-1-3-5-20/h1-11,13,15H,12,14H2,(H,25,27)