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

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]acetic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)CSC2=NN=C(N2CC)C3=CC=CS3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)CSC2=NN=C(N2CC)C3=CC=CS3

InChI

InChI=1S/C20H21N3O3S2/c1-3-14-7-9-15(10-8-14)16(24)12-26-18(25)13-28-20-22-21-19(23(20)4-2)17-6-5-11-27-17/h5-11H,3-4,12-13H2,1-2H3