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

Systemtic Name: 2-methylpropyl 2-[[5-(phenylsulfonylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: isobutyl 2-[[4-allyl-5-(benzenesulfonylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(benzenesulfonylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[[5-(benzenesulfonylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-allyl-5-(besylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid isobutyl ester Formula: C18H23N3O4S2 MolecularWeight: 409.52292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O4S2/c1-4-10-21-16(13-27(23,24)15-8-6-5-7-9-15)19-20-18(21)26-12-17(22)25-11-14(2)3/h4-9,14H,1,10-13H2,2-3H3