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

Systemtic Name: cyclohexyl 2-[(4-phenethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: cyclohexyl 2-[[4-phenethyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-phenethyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[(4-phenethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-phenethyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

C1CCC(CC1)OC(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C23H26N4O2S/c28-21(29-20-11-5-2-6-12-20)17-30-23-26-25-22(19-10-7-14-24-16-19)27(23)15-13-18-8-3-1-4-9-18/h1,3-4,7-10,14,16,20H,2,5-6,11-13,15,17H2