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

Systemtic Name: N-[1-[(4-bromophenyl)methyl]-4-chloranyl-pyrazol-3-yl]-4-(phenoxymethyl)thiophene-2-carboxamide Openeye Name: N-[1-[(4-bromophenyl)methyl]-4-chloro-pyrazol-3-yl]-4-(phenoxymethyl)thiophene-2-carboxamide CAS Name: N-[1-[(4-bromophenyl)methyl]-4-chloro-3-pyrazolyl]-4-(phenoxymethyl)-2-thiophenecarboxamide IUPAC Name: N-[1-[(4-bromophenyl)methyl]-4-chloropyrazol-3-yl]-4-(phenoxymethyl)thiophene-2-carboxamide Traditional Name: N-[1-(4-bromobenzyl)-4-chloro-pyrazol-3-yl]-4-(phenoxymethyl)thiophene-2-carboxamide Formula: C22H17BrClN3O2S MolecularWeight: 502.81128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=CSC(=C2)C(=O)NC3=NN(C=C3Cl)CC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)OCC2=CSC(=C2)C(=O)NC3=NN(C=C3Cl)CC4=CC=C(C=C4)Br

InChI

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