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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCNC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C23H28N4OS/c1-5-24-20(28)16-29-22-26-25-21(27(22)15-17-9-7-6-8-10-17)18-11-13-19(14-12-18)23(2,3)4/h6-14H,5,15-16H2,1-4H3,(H,24,28)