N-butan-2-yl-2-[[4-(4-ethoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-butan-2-yl-2-[[4-(4-ethoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-benzyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-sec-butyl-acetamide CAS Name: N-butan-2-yl-2-[[4-(4-ethoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[5-benzyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-butan-2-ylacetamide Traditional Name: 2-[(5-benzyl-4-p-phenetyl-1,2,4-triazol-3-yl)thio]-N-sec-butyl-acetamide Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)OCC)CC3=CC=CC=C3

Isomeric SMILES

CCC(C)NC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)OCC)CC3=CC=CC=C3

InChI

InChI=1S/C23H28N4O2S/c1-4-17(3)24-22(28)16-30-23-26-25-21(15-18-9-7-6-8-10-18)27(23)19-11-13-20(14-12-19)29-5-2/h6-14,17H,4-5,15-16H2,1-3H3,(H,24,28)