N5-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

Systemtic Name: N5-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide Openeye Name: N5-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide CAS Name: N5-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide IUPAC Name: 5-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-1-phenyl-2-pyrazoline-3,5-dicarboxamide Formula: C22H24N6O2S MolecularWeight: 436.52996

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3=NN(C(C3)C(=O)N)C4=CC=CC=C4

Isomeric SMILES

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3=NN(C(C3)C(=O)N)C4=CC=CC=C4

InChI

InChI=1S/C22H24N6O2S/c1-31-12-11-17(21-24-15-9-5-6-10-16(15)25-21)26-22(30)18-13-19(20(23)29)28(27-18)14-7-3-2-4-8-14/h2-10,17,19H,11-13H2,1H3,(H2,23,29)(H,24,25)(H,26,30)