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

Systemtic Name: cyclohexyl 2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: cyclohexyl 2-[[5-(3-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(3-pyridinyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[5-(3-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester Formula: C15H18N4O2S MolecularWeight: 318.39402

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CSC2=NNC(=N2)C3=CN=CC=C3

Isomeric SMILES

C1CCC(CC1)OC(=O)CSC2=NNC(=N2)C3=CN=CC=C3

InChI

InChI=1S/C15H18N4O2S/c20-13(21-12-6-2-1-3-7-12)10-22-15-17-14(18-19-15)11-5-4-8-16-9-11/h4-5,8-9,12H,1-3,6-7,10H2,(H,17,18,19)