N-(tert-butylcarbamoyl)-2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(tert-butylcarbamoyl)-2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(tert-butylcarbamoyl)-2-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-[(tert-butylamino)-oxomethyl]-2-[[4-(2-methylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(tert-butylcarbamoyl)-2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(tert-butylcarbamoyl)-2-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C22H26N6O2S MolecularWeight: 438.54584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SC(C)C(=O)NC(=O)NC(C)(C)C)C3=CN=CC=C3

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SC(C)C(=O)NC(=O)NC(C)(C)C)C3=CN=CC=C3

InChI

InChI=1S/C22H26N6O2S/c1-14-9-6-7-11-17(14)28-18(16-10-8-12-23-13-16)26-27-21(28)31-15(2)19(29)24-20(30)25-22(3,4)5/h6-13,15H,1-5H3,(H2,24,25,29,30)