1-(1H-benzimidazol-2-yl)-N-[[5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]methyl]-3-methylsulfanyl-propan-1-amine

Systemtic Name: 1-(1H-benzimidazol-2-yl)-N-[[5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]methyl]-3-methylsulfanyl-propan-1-amine Openeye Name: 1-(1H-benzimidazol-2-yl)-N-[[5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]methyl]-3-methylsulfanyl-propan-1-amine CAS Name: 1-(1H-benzimidazol-2-yl)-N-[[5-chloro-1-(4-fluorophenyl)-3-methyl-4-pyrazolyl]methyl]-3-(methylthio)-1-propanamine IUPAC Name: 1-(1H-benzimidazol-2-yl)-N-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-3-methylsulfanylpropan-1-amine Traditional Name: [1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-[[5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]methyl]amine Formula: C22H23ClFN5S MolecularWeight: 443.967923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CNC(CCSC)C2=NC3=CC=CC=C3N2)Cl)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=NN(C(=C1CNC(CCSC)C2=NC3=CC=CC=C3N2)Cl)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H23ClFN5S/c1-14-17(21(23)29(28-14)16-9-7-15(24)8-10-16)13-25-20(11-12-30-2)22-26-18-5-3-4-6-19(18)27-22/h3-10,20,25H,11-13H2,1-2H3,(H,26,27)