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

Systemtic Name: 2-[3-[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]ethanamide Openeye Name: 2-[3-[2-(4-tert-butylphenyl)-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]acetamide CAS Name: 2-[3-[[2-(4-tert-butylphenyl)-2-oxoethyl]thio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]acetamide IUPAC Name: 2-[3-[2-(4-tert-butylphenyl)-2-oxoethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]acetamide Traditional Name: 2-[3-[[2-(4-tert-butylphenyl)-2-keto-ethyl]thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]acetamide Formula: C20H22N4O2S2 MolecularWeight: 414.54428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC(=O)N)C3=CC=CS3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC(=O)N)C3=CC=CS3

InChI

InChI=1S/C20H22N4O2S2/c1-20(2,3)14-8-6-13(7-9-14)15(25)12-28-19-23-22-18(16-5-4-10-27-16)24(19)11-17(21)26/h4-10H,11-12H2,1-3H3,(H2,21,26)