2-[3-[1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]ethanamide

Systemtic Name: 2-[3-[1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]ethanamide Openeye Name: 2-[3-[2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]acetamide CAS Name: 2-[3-[[1-(4-ethylphenyl)-1-oxopropan-2-yl]thio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]acetamide IUPAC Name: 2-[3-[1-(4-ethylphenyl)-1-oxopropan-2-yl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]acetamide Traditional Name: 2-[3-[[2-(4-ethylphenyl)-2-keto-1-methyl-ethyl]thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]acetamide Formula: C19H20N4O2S2 MolecularWeight: 400.5177

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2CC(=O)N)C3=CC=CS3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2CC(=O)N)C3=CC=CS3

InChI

InChI=1S/C19H20N4O2S2/c1-3-13-6-8-14(9-7-13)17(25)12(2)27-19-22-21-18(15-5-4-10-26-15)23(19)11-16(20)24/h4-10,12H,3,11H2,1-2H3,(H2,20,24)