N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide Formula: C20H17FN4OS MolecularWeight: 380.438583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSCCNC(=O)C2=C(NN=C2)C3=CC=C(C=C3)F)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSCCNC(=O)C2=C(NN=C2)C3=CC=C(C=C3)F)C#N

InChI

InChI=1S/C20H17FN4OS/c21-17-7-5-14(6-8-17)19-18(12-24-25-19)20(26)23-9-10-27-13-16-4-2-1-3-15(16)11-22/h1-8,12H,9-10,13H2,(H,23,26)(H,24,25)