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

Systemtic Name: cyclohexyl 2-[[4-(3-methoxypropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: cyclohexyl 2-[[4-(3-methoxypropyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(3-methoxypropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[[4-(3-methoxypropyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(3-methoxypropyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester Formula: C18H25N3O3S2 MolecularWeight: 395.5394

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=NN=C1SCC(=O)OC2CCCCC2)C3=CC=CS3

Isomeric SMILES

COCCCN1C(=NN=C1SCC(=O)OC2CCCCC2)C3=CC=CS3

InChI

InChI=1S/C18H25N3O3S2/c1-23-11-6-10-21-17(15-9-5-12-25-15)19-20-18(21)26-13-16(22)24-14-7-3-2-4-8-14/h5,9,12,14H,2-4,6-8,10-11,13H2,1H3