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

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(4-ethyl-5-phenyl-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-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3S/c1-3-16-10-12-17(13-11-16)19(26)14-28-20(27)15-29-22-24-23-21(25(22)4-2)18-8-6-5-7-9-18/h5-13H,3-4,14-15H2,1-2H3