N-[2-(5-bromanylthiophen-2-yl)ethyl]-1-(phenylmethyl)-3-pyridin-3-yl-pyrazole-4-carboxamide

Systemtic Name: N-[2-(5-bromanylthiophen-2-yl)ethyl]-1-(phenylmethyl)-3-pyridin-3-yl-pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[2-(5-bromo-2-thienyl)ethyl]-3-(3-pyridyl)pyrazole-4-carboxamide CAS Name: N-[2-(5-bromo-2-thiophenyl)ethyl]-1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[2-(5-bromothiophen-2-yl)ethyl]-3-pyridin-3-ylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[2-(5-bromo-2-thienyl)ethyl]-3-(3-pyridyl)pyrazole-4-carboxamide Formula: C22H19BrN4OS MolecularWeight: 467.38146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CN=CC=C3)C(=O)NCCC4=CC=C(S4)Br

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CN=CC=C3)C(=O)NCCC4=CC=C(S4)Br

InChI

InChI=1S/C22H19BrN4OS/c23-20-9-8-18(29-20)10-12-25-22(28)19-15-27(14-16-5-2-1-3-6-16)26-21(19)17-7-4-11-24-13-17/h1-9,11,13,15H,10,12,14H2,(H,25,28)