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

Systemtic Name: (2R)-N-tert-butyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(phenylmethyl)propanamide Openeye Name: (2R)-N-benzyl-N-tert-butyl-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2R)-N-tert-butyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-(phenylmethyl)propanamide IUPAC Name: (2R)-N-benzyl-N-tert-butyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-N-benzyl-N-tert-butyl-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CC1=CC=CC=C1)C(C)(C)C)SC2=NN=C(N2C)C3=CC=NC=C3

Isomeric SMILES

C[C@H](C(=O)N(CC1=CC=CC=C1)C(C)(C)C)SC2=NN=C(N2C)C3=CC=NC=C3

InChI

InChI=1S/C22H27N5OS/c1-16(20(28)27(22(2,3)4)15-17-9-7-6-8-10-17)29-21-25-24-19(26(21)5)18-11-13-23-14-12-18/h6-14,16H,15H2,1-5H3/t16-/m1/s1