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

Systemtic Name: 2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-cyclohexyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C14H16N3O3S- MolecularWeight: 306.36014

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)[O-])C3=CC=CO3

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)[O-])C3=CC=CO3

InChI

InChI=1S/C14H17N3O3S/c18-12(19)9-21-14-16-15-13(11-7-4-8-20-11)17(14)10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H,18,19)/p-1