2-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(propylcarbamoyl)ethanamide

Systemtic Name: 2-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(propylcarbamoyl)ethanamide Openeye Name: 2-[[4-(2-isopropylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(propylcarbamoyl)acetamide CAS Name: N-[oxo(propylamino)methyl]-2-[[4-(2-propan-2-ylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(propylcarbamoyl)acetamide Traditional Name: 2-[[4-o-cumenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(propylcarbamoyl)acetamide Formula: C22H26N6O2S MolecularWeight: 438.54584

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2C(C)C)C3=CN=CC=C3

Isomeric SMILES

CCCNC(=O)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2C(C)C)C3=CN=CC=C3

InChI

InChI=1S/C22H26N6O2S/c1-4-11-24-21(30)25-19(29)14-31-22-27-26-20(16-8-7-12-23-13-16)28(22)18-10-6-5-9-17(18)15(2)3/h5-10,12-13,15H,4,11,14H2,1-3H3,(H2,24,25,29,30)