N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-5-propan-2-yl-1-pyridin-2-yl-pyrazole-4-carboxamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-5-propan-2-yl-1-pyridin-2-yl-pyrazole-4-carboxamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-5-isopropyl-1-(2-pyridyl)pyrazole-4-carboxamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-5-propan-2-yl-1-(2-pyridinyl)-4-pyrazolecarboxamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-5-isopropyl-1-(2-pyridyl)pyrazole-4-carboxamide Formula: C22H23N5OS MolecularWeight: 405.51592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=NN1C2=CC=CC=N2)C(=O)NCCSCC3=CC=CC=C3C#N

Isomeric SMILES

CC(C)C1=C(C=NN1C2=CC=CC=N2)C(=O)NCCSCC3=CC=CC=C3C#N

InChI

InChI=1S/C22H23N5OS/c1-16(2)21-19(14-26-27(21)20-9-5-6-10-24-20)22(28)25-11-12-29-15-18-8-4-3-7-17(18)13-23/h3-10,14,16H,11-12,15H2,1-2H3,(H,25,28)