cyclohexyl 2-[[4-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: cyclohexyl 2-[[4-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: cyclohexyl 2-[[4-methyl-5-(p-tolylsulfonylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[[4-methyl-5-[(4-methylphenyl)sulfonylmethyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-methyl-5-(tosylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester Formula: C19H25N3O4S2 MolecularWeight: 423.5495

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=NN=C(N2C)SCC(=O)OC3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=NN=C(N2C)SCC(=O)OC3CCCCC3

InChI

InChI=1S/C19H25N3O4S2/c1-14-8-10-16(11-9-14)28(24,25)13-17-20-21-19(22(17)2)27-12-18(23)26-15-6-4-3-5-7-15/h8-11,15H,3-7,12-13H2,1-2H3