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

Systemtic Name: cyclohexyl 2-[(4-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: cyclohexyl 2-[[4-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[(4-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-(3-pyridyl)-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=NN=CN2C3=CN=CC=C3

Isomeric SMILES

C1CCC(CC1)OC(=O)CSC2=NN=CN2C3=CN=CC=C3

InChI

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