2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-tert-butyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-tert-butyl-N-(phenylmethyl)ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-benzyl-N-tert-butyl-acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-tert-butyl-N-(phenylmethyl)acetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-benzyl-N-tert-butylacetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-benzyl-N-tert-butyl-acetamide Formula: C15H21N5OS MolecularWeight: 319.42514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC1=CC=CC=C1)C(=O)CSC2=NNC(=N2)N

Isomeric SMILES

CC(C)(C)N(CC1=CC=CC=C1)C(=O)CSC2=NNC(=N2)N

InChI

InChI=1S/C15H21N5OS/c1-15(2,3)20(9-11-7-5-4-6-8-11)12(21)10-22-14-17-13(16)18-19-14/h4-8H,9-10H2,1-3H3,(H3,16,17,18,19)