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

Systemtic Name: propyl 2-[[5-(phenylsulfonylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C17H21N3O4S2 MolecularWeight: 395.49634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4S2/c1-3-10-20-15(13-26(22,23)14-8-6-5-7-9-14)18-19-17(20)25-12-16(21)24-11-4-2/h3,5-9H,1,4,10-13H2,2H3