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

Systemtic Name: N-[1-[(2,3-dimethoxyphenyl)methyl]pyrazol-4-yl]-2-ethylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[1-[(2,3-dimethoxyphenyl)methyl]pyrazol-4-yl]-2-ethylsulfanyl-pyridine-3-carboxamide CAS Name: N-[1-[(2,3-dimethoxyphenyl)methyl]-4-pyrazolyl]-2-(ethylthio)-3-pyridinecarboxamide IUPAC Name: N-[1-[(2,3-dimethoxyphenyl)methyl]pyrazol-4-yl]-2-ethylsulfanylpyridine-3-carboxamide Traditional Name: 2-(ethylthio)-N-(1-o-veratrylpyrazol-4-yl)nicotinamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=CC=N1)C(=O)NC2=CN(N=C2)CC3=C(C(=CC=C3)OC)OC

Isomeric SMILES

CCSC1=C(C=CC=N1)C(=O)NC2=CN(N=C2)CC3=C(C(=CC=C3)OC)OC

InChI

InChI=1S/C20H22N4O3S/c1-4-28-20-16(8-6-10-21-20)19(25)23-15-11-22-24(13-15)12-14-7-5-9-17(26-2)18(14)27-3/h5-11,13H,4,12H2,1-3H3,(H,23,25)