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

Systemtic Name: N-[2-[(4-bromanylthiophen-2-yl)methyl]pyrazol-3-yl]-3,4-dimethoxy-benzamide Openeye Name: N-[2-[(4-bromo-2-thienyl)methyl]pyrazol-3-yl]-3,4-dimethoxy-benzamide CAS Name: N-[2-[(4-bromo-2-thiophenyl)methyl]-3-pyrazolyl]-3,4-dimethoxybenzamide IUPAC Name: N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-3,4-dimethoxybenzamide Traditional Name: N-[2-[(4-bromo-2-thienyl)methyl]pyrazol-3-yl]-3,4-dimethoxy-benzamide Formula: C17H16BrN3O3S MolecularWeight: 422.29624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC=NN2CC3=CC(=CS3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=NN2CC3=CC(=CS3)Br)OC

InChI

InChI=1S/C17H16BrN3O3S/c1-23-14-4-3-11(7-15(14)24-2)17(22)20-16-5-6-19-21(16)9-13-8-12(18)10-25-13/h3-8,10H,9H2,1-2H3,(H,20,22)