N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamide

Systemtic Name: N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamide Openeye Name: N-[4-(3-pyridylmethylsulfanyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide CAS Name: N-[4-(3-pyridinylmethylthio)phenyl]-2-(1,3,5-trimethyl-4-pyrazolyl)acetamide IUPAC Name: N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide Traditional Name: N-[4-(3-pyridylmethylthio)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide Formula: C20H22N4OS MolecularWeight: 366.47988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CC(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3

Isomeric SMILES

CC1=C(C(=NN1C)C)CC(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3

InChI

InChI=1S/C20H22N4OS/c1-14-19(15(2)24(3)23-14)11-20(25)22-17-6-8-18(9-7-17)26-13-16-5-4-10-21-12-16/h4-10,12H,11,13H2,1-3H3,(H,22,25)