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

Systemtic Name: [1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: [2-(4-ethylphenyl)-1-methyl-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 [1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylphenyl)-1-oxopropan-2-yl] 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-1-methyl-ethyl] ester Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S2/c1-4-15-8-10-16(11-9-15)19(26)14(3)27-18(25)13-29-21-23-22-20(24(21)5-2)17-7-6-12-28-17/h6-12,14H,4-5,13H2,1-3H3