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

Systemtic Name: (2R)-2-[(4-azanyl-1,2,4-triazol-3-yl)sulfanyl]-N-tert-butyl-N-(phenylmethyl)propanamide Openeye Name: (2R)-2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-benzyl-N-tert-butyl-propanamide CAS Name: (2R)-2-[(4-amino-1,2,4-triazol-3-yl)thio]-N-tert-butyl-N-(phenylmethyl)propanamide IUPAC Name: (2R)-2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-benzyl-N-tert-butylpropanamide Traditional Name: (2R)-2-[(4-amino-1,2,4-triazol-3-yl)thio]-N-benzyl-N-tert-butyl-propionamide Formula: C16H23N5OS MolecularWeight: 333.45172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CC1=CC=CC=C1)C(C)(C)C)SC2=NN=CN2N

Isomeric SMILES

C[C@H](C(=O)N(CC1=CC=CC=C1)C(C)(C)C)SC2=NN=CN2N

InChI

InChI=1S/C16H23N5OS/c1-12(23-15-19-18-11-21(15)17)14(22)20(16(2,3)4)10-13-8-6-5-7-9-13/h5-9,11-12H,10,17H2,1-4H3/t12-/m1/s1