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

Systemtic Name: N-(2-tert-butylphenyl)-2-[[4-ethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-tert-butylphenyl)-2-[[4-ethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-tert-butylphenyl)-2-[[4-ethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-tert-butylphenyl)-2-[[4-ethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-tert-butylphenyl)-2-[[4-ethyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H26N4OS2 MolecularWeight: 414.58734

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(C)(C)C)CC3=CC=CS3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(C)(C)C)CC3=CC=CS3

InChI

InChI=1S/C21H26N4OS2/c1-5-25-18(13-15-9-8-12-27-15)23-24-20(25)28-14-19(26)22-17-11-7-6-10-16(17)21(2,3)4/h6-12H,5,13-14H2,1-4H3,(H,22,26)