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

Systemtic Name: propyl 2-[[4-ethyl-5-(phenylsulfonylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: propyl 2-[[5-(benzenesulfonylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(benzenesulfonylmethyl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetic acid propyl ester IUPAC Name: propyl 2-[[5-(benzenesulfonylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(besylmethyl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetic acid propyl ester Formula: C16H21N3O4S2 MolecularWeight: 383.48564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O4S2/c1-3-10-23-15(20)11-24-16-18-17-14(19(16)4-2)12-25(21,22)13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3