N-[2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)ethyl]-4-(phenoxymethyl)thiophene-2-carboxamide

Systemtic Name: N-[2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)ethyl]-4-(phenoxymethyl)thiophene-2-carboxamide Openeye Name: N-[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)ethyl]-4-(phenoxymethyl)thiophene-2-carboxamide CAS Name: N-[2-(4-bromo-3,5-dimethyl-1-pyrazolyl)ethyl]-4-(phenoxymethyl)-2-thiophenecarboxamide IUPAC Name: N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-(phenoxymethyl)thiophene-2-carboxamide Traditional Name: N-[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)ethyl]-4-(phenoxymethyl)thiophene-2-carboxamide Formula: C19H20BrN3O2S MolecularWeight: 434.35

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCNC(=O)C2=CC(=CS2)COC3=CC=CC=C3)C)Br

Isomeric SMILES

CC1=C(C(=NN1CCNC(=O)C2=CC(=CS2)COC3=CC=CC=C3)C)Br

InChI

InChI=1S/C19H20BrN3O2S/c1-13-18(20)14(2)23(22-13)9-8-21-19(24)17-10-15(12-26-17)11-25-16-6-4-3-5-7-16/h3-7,10,12H,8-9,11H2,1-2H3,(H,21,24)