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

Systemtic Name: 5-bromanyl-N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]thiophene-2-carboxamide Openeye Name: 5-bromo-N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]thiophene-2-carboxamide CAS Name: 5-bromo-N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrazolyl]-2-thiophenecarboxamide IUPAC Name: 5-bromo-N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]thiophene-2-carboxamide Traditional Name: 5-bromo-N-(1-homoveratrylpyrazol-4-yl)thiophene-2-carboxamide Formula: C18H18BrN3O3S MolecularWeight: 436.32282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C=C(C=N2)NC(=O)C3=CC=C(S3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C=C(C=N2)NC(=O)C3=CC=C(S3)Br)OC

InChI

InChI=1S/C18H18BrN3O3S/c1-24-14-4-3-12(9-15(14)25-2)7-8-22-11-13(10-20-22)21-18(23)16-5-6-17(19)26-16/h3-6,9-11H,7-8H2,1-2H3,(H,21,23)