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

Systemtic Name: cyclohexyl 2-[[5-[(4-methylphenyl)sulfonylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: cyclohexyl 2-[[4-allyl-5-(p-tolylsulfonylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(4-methylphenyl)sulfonylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[[5-[(4-methylphenyl)sulfonylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-allyl-5-(tosylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=NN=C(N2CC=C)SCC(=O)OC3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=NN=C(N2CC=C)SCC(=O)OC3CCCCC3

InChI

InChI=1S/C21H27N3O4S2/c1-3-13-24-19(15-30(26,27)18-11-9-16(2)10-12-18)22-23-21(24)29-14-20(25)28-17-7-5-4-6-8-17/h3,9-12,17H,1,4-8,13-15H2,2H3