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

Systemtic Name: cyclohexyl 2-[[4-phenyl-5-(phenylsulfonylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: cyclohexyl 2-[[5-(benzenesulfonylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(benzenesulfonylmethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[[5-(benzenesulfonylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(besylmethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester Formula: C23H25N3O4S2 MolecularWeight: 471.5923

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)OC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O4S2/c27-22(30-19-12-6-2-7-13-19)16-31-23-25-24-21(26(23)18-10-4-1-5-11-18)17-32(28,29)20-14-8-3-9-15-20/h1,3-5,8-11,14-15,19H,2,6-7,12-13,16-17H2