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

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1-benzyl-pyrazole-4-carboxamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-1-benzylpyrazole-4-carboxamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-1-benzyl-pyrazole-4-carboxamide Formula: C22H23N5OS MolecularWeight: 405.51592

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H23N5OS/c1-29-12-11-20(21-24-18-9-5-6-10-19(18)25-21)26-22(28)17-13-23-27(15-17)14-16-7-3-2-4-8-16/h2-10,13,15,20H,11-12,14H2,1H3,(H,24,25)(H,26,28)