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

Systemtic Name: 3-[3-[1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[[1-(4-ethylphenyl)-1-oxopropan-2-yl]thio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[1-(4-ethylphenyl)-1-oxopropan-2-yl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[[2-(4-ethylphenyl)-2-keto-1-methyl-ethyl]thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]propionamide Formula: C20H22N4O2S2 MolecularWeight: 414.54428

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2CCC(=O)N)C3=CC=CS3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2CCC(=O)N)C3=CC=CS3

InChI

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