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

Systemtic Name: N-[4-bromanyl-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-(phenoxymethyl)thiophene-2-carboxamide Openeye Name: N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-(phenoxymethyl)thiophene-2-carboxamide CAS Name: N-[4-bromo-1-[(4-chlorophenyl)methyl]-3-pyrazolyl]-4-(phenoxymethyl)-2-thiophenecarboxamide IUPAC Name: N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-(phenoxymethyl)thiophene-2-carboxamide Traditional Name: N-[4-bromo-1-(4-chlorobenzyl)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=C3Br)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)OCC2=CSC(=C2)C(=O)NC3=NN(C=C3Br)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H17BrClN3O2S/c23-19-12-27(11-15-6-8-17(24)9-7-15)26-21(19)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)