1-tert-butyl-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-5-propan-2-yl-pyrazole-3-carboxamide

Systemtic Name: 1-tert-butyl-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-5-propan-2-yl-pyrazole-3-carboxamide Openeye Name: 1-tert-butyl-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-5-isopropyl-pyrazole-3-carboxamide CAS Name: 1-tert-butyl-N-[2-[(2-cyanophenyl)methylthio]ethyl]-5-propan-2-yl-3-pyrazolecarboxamide IUPAC Name: 1-tert-butyl-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-5-propan-2-ylpyrazole-3-carboxamide Traditional Name: 1-tert-butyl-N-[2-[(2-cyanobenzyl)thio]ethyl]-5-isopropyl-pyrazole-3-carboxamide Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NN1C(C)(C)C)C(=O)NCCSCC2=CC=CC=C2C#N

Isomeric SMILES

CC(C)C1=CC(=NN1C(C)(C)C)C(=O)NCCSCC2=CC=CC=C2C#N

InChI

InChI=1S/C21H28N4OS/c1-15(2)19-12-18(24-25(19)21(3,4)5)20(26)23-10-11-27-14-17-9-7-6-8-16(17)13-22/h6-9,12,15H,10-11,14H2,1-5H3,(H,23,26)