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

Systemtic Name: N-tert-butyl-2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-N-tert-butyl-2-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-tert-butyl-2-[[4-ethyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-tert-butyl-2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-benzyl-N-tert-butyl-2-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N(CC2=CC=CC=C2)C(C)(C)C)C3=CC=CO3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N(CC2=CC=CC=C2)C(C)(C)C)C3=CC=CO3

InChI

InChI=1S/C21H26N4O2S/c1-5-24-19(17-12-9-13-27-17)22-23-20(24)28-15-18(26)25(21(2,3)4)14-16-10-7-6-8-11-16/h6-13H,5,14-15H2,1-4H3