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

Systemtic Name: 3-chloranyl-N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]thiophene-2-carboxamide Openeye Name: 3-chloro-N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]thiophene-2-carboxamide CAS Name: 3-chloro-N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrazolyl]-2-thiophenecarboxamide IUPAC Name: 3-chloro-N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]thiophene-2-carboxamide Traditional Name: 3-chloro-N-(1-homoveratrylpyrazol-4-yl)thiophene-2-carboxamide Formula: C18H18ClN3O3S MolecularWeight: 391.87182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C=C(C=N2)NC(=O)C3=C(C=CS3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C=C(C=N2)NC(=O)C3=C(C=CS3)Cl)OC

InChI

InChI=1S/C18H18ClN3O3S/c1-24-15-4-3-12(9-16(15)25-2)5-7-22-11-13(10-20-22)21-18(23)17-14(19)6-8-26-17/h3-4,6,8-11H,5,7H2,1-2H3,(H,21,23)