N-[2-[(4-bromanylthiophen-2-yl)methyl]pyrazol-3-yl]-3,4,5-triethoxy-benzamide

Systemtic Name: N-[2-[(4-bromanylthiophen-2-yl)methyl]pyrazol-3-yl]-3,4,5-triethoxy-benzamide Openeye Name: N-[2-[(4-bromo-2-thienyl)methyl]pyrazol-3-yl]-3,4,5-triethoxy-benzamide CAS Name: N-[2-[(4-bromo-2-thiophenyl)methyl]-3-pyrazolyl]-3,4,5-triethoxybenzamide IUPAC Name: N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-3,4,5-triethoxybenzamide Traditional Name: N-[2-[(4-bromo-2-thienyl)methyl]pyrazol-3-yl]-3,4,5-triethoxy-benzamide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=CC=NN2CC3=CC(=CS3)Br

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=CC=NN2CC3=CC(=CS3)Br

InChI

InChI=1S/C21H24BrN3O4S/c1-4-27-17-9-14(10-18(28-5-2)20(17)29-6-3)21(26)24-19-7-8-23-25(19)12-16-11-15(22)13-30-16/h7-11,13H,4-6,12H2,1-3H3,(H,24,26)