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

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-1-phenylpyrazole-4-carboxamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-1-phenyl-pyrazole-4-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=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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