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

Systemtic Name: cyclohexyl 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: cyclohexyl 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetic acid cyclohexyl ester Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)OC4CCCCC4

Isomeric SMILES

C1CCC(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)OC4CCCCC4

InChI

InChI=1S/C22H29N3O2S/c26-20(27-19-14-8-3-9-15-19)16-28-22-24-23-21(17-10-4-1-5-11-17)25(22)18-12-6-2-7-13-18/h2,6-7,12-13,17,19H,1,3-5,8-11,14-16H2