N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-phenylpyrazole-4-carboxamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-1-phenyl-pyrazole-4-carboxamide Formula: C20H18N4OS MolecularWeight: 362.44812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)C(=O)NCCSCC3=CC=CC=C3C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)C(=O)NCCSCC3=CC=CC=C3C#N

InChI

InChI=1S/C20H18N4OS/c21-12-16-6-4-5-7-17(16)15-26-11-10-22-20(25)18-13-23-24(14-18)19-8-2-1-3-9-19/h1-9,13-14H,10-11,15H2,(H,22,25)