2-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]ethanamide

Systemtic Name: 2-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]ethanamide Openeye Name: 2-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide CAS Name: 2-[[4-(3-chlorophenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]acetamide IUPAC Name: 2-[[4-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide Traditional Name: 2-[[4-(3-chlorophenyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide Formula: C22H28ClN7OS MolecularWeight: 474.02202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=O)CSC2=NN=C(N2C3=CC(=CC=C3)Cl)N4CCCC4)C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=O)CSC2=NN=C(N2C3=CC(=CC=C3)Cl)N4CCCC4)C

InChI

InChI=1S/C22H28ClN7OS/c1-16-13-17(2)29(27-16)12-6-9-24-20(31)15-32-22-26-25-21(28-10-3-4-11-28)30(22)19-8-5-7-18(23)14-19/h5,7-8,13-14H,3-4,6,9-12,15H2,1-2H3,(H,24,31)