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

Systemtic Name: N-tert-butyl-2-[[5-phenethyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(4-benzyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]-N-tert-butyl-acetamide CAS Name: N-tert-butyl-2-[[5-phenethyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(4-benzyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]-N-tert-butylacetamide Traditional Name: 2-[(4-benzyl-5-phenethyl-1,2,4-triazol-3-yl)thio]-N-tert-butyl-acetamide Formula: C23H28N4OS MolecularWeight: 408.55962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)CCC3=CC=CC=C3

InChI

InChI=1S/C23H28N4OS/c1-23(2,3)24-21(28)17-29-22-26-25-20(15-14-18-10-6-4-7-11-18)27(22)16-19-12-8-5-9-13-19/h4-13H,14-17H2,1-3H3,(H,24,28)