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

Systemtic Name: (2R)-N-tert-butyl-N-(phenylmethyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-N-benzyl-N-tert-butyl-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2R)-N-tert-butyl-N-(phenylmethyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2R)-N-benzyl-N-tert-butyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-N-benzyl-N-tert-butyl-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CC1=CC=CC=C1)C(C)(C)C)SC2=NNC(=N2)C3=CC=NC=C3

Isomeric SMILES

C[C@H](C(=O)N(CC1=CC=CC=C1)C(C)(C)C)SC2=NNC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C21H25N5OS/c1-15(28-20-23-18(24-25-20)17-10-12-22-13-11-17)19(27)26(21(2,3)4)14-16-8-6-5-7-9-16/h5-13,15H,14H2,1-4H3,(H,23,24,25)/t15-/m1/s1