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

Systemtic Name: N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-2-ethylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-2-ethylsulfanyl-pyridine-3-carboxamide CAS Name: N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrazolyl]-2-(ethylthio)-3-pyridinecarboxamide IUPAC Name: N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-2-ethylsulfanylpyridine-3-carboxamide Traditional Name: 2-(ethylthio)-N-(1-homoveratrylpyrazol-4-yl)nicotinamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=CC=N1)C(=O)NC2=CN(N=C2)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCSC1=C(C=CC=N1)C(=O)NC2=CN(N=C2)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H24N4O3S/c1-4-29-21-17(6-5-10-22-21)20(26)24-16-13-23-25(14-16)11-9-15-7-8-18(27-2)19(12-15)28-3/h5-8,10,12-14H,4,9,11H2,1-3H3,(H,24,26)