1-(4-bromophenyl)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-5-methyl-pyrazole-4-carboxamide

Systemtic Name: 1-(4-bromophenyl)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-5-methyl-pyrazole-4-carboxamide Openeye Name: 1-(4-bromophenyl)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-5-methyl-pyrazole-4-carboxamide CAS Name: 1-(4-bromophenyl)-N-[2-[(2-cyanophenyl)methylthio]ethyl]-5-methyl-4-pyrazolecarboxamide IUPAC Name: 1-(4-bromophenyl)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-5-methylpyrazole-4-carboxamide Traditional Name: 1-(4-bromophenyl)-N-[2-[(2-cyanobenzyl)thio]ethyl]-5-methyl-pyrazole-4-carboxamide Formula: C21H19BrN4OS MolecularWeight: 455.37076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)NCCSCC3=CC=CC=C3C#N

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)NCCSCC3=CC=CC=C3C#N

InChI

InChI=1S/C21H19BrN4OS/c1-15-20(13-25-26(15)19-8-6-18(22)7-9-19)21(27)24-10-11-28-14-17-5-3-2-4-16(17)12-23/h2-9,13H,10-11,14H2,1H3,(H,24,27)