5-methyl-1-pyridin-2-yl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrazole-4-carboxamide

Systemtic Name: 5-methyl-1-pyridin-2-yl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrazole-4-carboxamide Openeye Name: 5-methyl-1-(2-pyridyl)-N-[4-(3-pyridylmethylsulfanyl)phenyl]pyrazole-4-carboxamide CAS Name: 5-methyl-1-(2-pyridinyl)-N-[4-(3-pyridinylmethylthio)phenyl]-4-pyrazolecarboxamide IUPAC Name: 5-methyl-1-pyridin-2-yl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrazole-4-carboxamide Traditional Name: 5-methyl-1-(2-pyridyl)-N-[4-(3-pyridylmethylthio)phenyl]pyrazole-4-carboxamide Formula: C22H19N5OS MolecularWeight: 401.48416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=N2)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=N2)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

InChI

InChI=1S/C22H19N5OS/c1-16-20(14-25-27(16)21-6-2-3-12-24-21)22(28)26-18-7-9-19(10-8-18)29-15-17-5-4-11-23-13-17/h2-14H,15H2,1H3,(H,26,28)