propan-2-yl 4-[[4-ethyl-5-(phenylsulfonylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate

Systemtic Name: propan-2-yl 4-[[4-ethyl-5-(phenylsulfonylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: isopropyl 4-[[5-(benzenesulfonylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-(benzenesulfonylmethyl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[5-(benzenesulfonylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-(besylmethyl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid isopropyl ester Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)OC(C)C)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)OC(C)C)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H25N3O4S2/c1-4-25-20(15-31(27,28)19-8-6-5-7-9-19)23-24-22(25)30-14-17-10-12-18(13-11-17)21(26)29-16(2)3/h5-13,16H,4,14-15H2,1-3H3