N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1-(4-bromophenyl)-5-methyl-pyrazole-4-carboxamide

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1-(4-bromophenyl)-5-methyl-pyrazole-4-carboxamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1-(4-bromophenyl)-5-methyl-pyrazole-4-carboxamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-1-(4-bromophenyl)-5-methyl-4-pyrazolecarboxamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-1-(4-bromophenyl)-5-methyl-pyrazole-4-carboxamide Formula: C22H22BrN5OS MolecularWeight: 484.41198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)NC(CCSC)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)NC(CCSC)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H22BrN5OS/c1-14-17(13-24-28(14)16-9-7-15(23)8-10-16)22(29)27-20(11-12-30-2)21-25-18-5-3-4-6-19(18)26-21/h3-10,13,20H,11-12H2,1-2H3,(H,25,26)(H,27,29)