N-[2-[(4-bromanylthiophen-2-yl)methyl]pyrazol-3-yl]-4-(4-methoxyphenoxy)butanamide

Systemtic Name: N-[2-[(4-bromanylthiophen-2-yl)methyl]pyrazol-3-yl]-4-(4-methoxyphenoxy)butanamide Openeye Name: N-[2-[(4-bromo-2-thienyl)methyl]pyrazol-3-yl]-4-(4-methoxyphenoxy)butanamide CAS Name: N-[2-[(4-bromo-2-thiophenyl)methyl]-3-pyrazolyl]-4-(4-methoxyphenoxy)butanamide IUPAC Name: N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-4-(4-methoxyphenoxy)butanamide Traditional Name: N-[2-[(4-bromo-2-thienyl)methyl]pyrazol-3-yl]-4-(4-methoxyphenoxy)butyramide Formula: C19H20BrN3O3S MolecularWeight: 450.3494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrN3O3S/c1-25-15-4-6-16(7-5-15)26-10-2-3-19(24)22-18-8-9-21-23(18)12-17-11-14(20)13-27-17/h4-9,11,13H,2-3,10,12H2,1H3,(H,22,24)