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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)CSC1=NN=C(N1C)CS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)COC(=O)CSC1=NN=C(N1C)CS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H21N3O4S2/c1-12(2)9-23-15(20)10-24-16-18-17-14(19(16)3)11-25(21,22)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3