propyl 2-[[4-ethyl-5-[(4-methylphenyl)sulfonylmethyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: propyl 2-[[4-ethyl-5-[(4-methylphenyl)sulfonylmethyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: propyl 2-[[4-ethyl-5-(p-tolylsulfonylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-ethyl-5-[(4-methylphenyl)sulfonylmethyl]-1,2,4-triazol-3-yl]thio]acetic acid propyl ester IUPAC Name: propyl 2-[[4-ethyl-5-[(4-methylphenyl)sulfonylmethyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-ethyl-5-(tosylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid propyl ester Formula: C17H23N3O4S2 MolecularWeight: 397.51222

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CSC1=NN=C(N1CC)CS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCOC(=O)CSC1=NN=C(N1CC)CS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C17H23N3O4S2/c1-4-10-24-16(21)11-25-17-19-18-15(20(17)5-2)12-26(22,23)14-8-6-13(3)7-9-14/h6-9H,4-5,10-12H2,1-3H3