N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-(phenoxymethyl)thiophene-2-carboxamide

Systemtic Name: N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-(phenoxymethyl)thiophene-2-carboxamide Openeye Name: N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-(phenoxymethyl)thiophene-2-carboxamide CAS Name: N-[1-[(4-bromophenyl)methyl]-3-pyrazolyl]-4-(phenoxymethyl)-2-thiophenecarboxamide IUPAC Name: N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-(phenoxymethyl)thiophene-2-carboxamide Traditional Name: N-[1-(4-bromobenzyl)pyrazol-3-yl]-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=NN(C=C3)CC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)OCC2=CSC(=C2)C(=O)NC3=NN(C=C3)CC4=CC=C(C=C4)Br

InChI

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