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

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]pyrazole-4-carboxamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[2-[(2-cyanobenzyl)thio]ethyl]pyrazole-4-carboxamide Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=N2)C(=O)NCCSCC3=CC=CC=C3C#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)C(=O)NCCSCC3=CC=CC=C3C#N

InChI

InChI=1S/C21H20N4OS/c22-12-18-8-4-5-9-19(18)16-27-11-10-23-21(26)20-13-24-25(15-20)14-17-6-2-1-3-7-17/h1-9,13,15H,10-11,14,16H2,(H,23,26)