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

Systemtic Name: (2R)-N-(tert-butylcarbamoyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(tert-butylcarbamoyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2R)-N-[(tert-butylamino)-oxomethyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-(tert-butylcarbamoyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(tert-butylcarbamoyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C15H20N6O2S MolecularWeight: 348.4233

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC(C)(C)C)SC1=NNC(=N1)C2=CC=NC=C2

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC(C)(C)C)SC1=NNC(=N1)C2=CC=NC=C2

InChI

InChI=1S/C15H20N6O2S/c1-9(12(22)18-13(23)19-15(2,3)4)24-14-17-11(20-21-14)10-5-7-16-8-6-10/h5-9H,1-4H3,(H,17,20,21)(H2,18,19,22,23)/t9-/m1/s1