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

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-phenyl-1H-pyrazole-5-carboxamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-phenyl-1H-pyrazole-5-carboxamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-phenyl-1H-pyrazole-5-carboxamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-phenyl-1H-pyrazole-5-carboxamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-phenyl-1H-pyrazole-5-carboxamide Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3=CC(=NN3)C4=CC=CC=C4

Isomeric SMILES

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3=CC(=NN3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N5OS/c1-28-12-11-17(20-22-15-9-5-6-10-16(15)23-20)24-21(27)19-13-18(25-26-19)14-7-3-2-4-8-14/h2-10,13,17H,11-12H2,1H3,(H,22,23)(H,24,27)(H,25,26)