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

Systemtic Name: 2-[[4-(4-tert-butylphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[4-(4-tert-butylphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[4-(4-tert-butylphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[4-(4-tert-butylphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[4-(4-tert-butylphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3)COC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3)COC4=CC=CC=C4

InChI

InChI=1S/C27H28N4O2S/c1-27(2,3)20-14-16-22(17-15-20)31-24(18-33-23-12-8-5-9-13-23)29-30-26(31)34-19-25(32)28-21-10-6-4-7-11-21/h4-17H,18-19H2,1-3H3,(H,28,32)