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

Systemtic Name: 2-[[4-cyclohexyl-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-cyclohexyl-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-cyclohexyl-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-cyclohexyl-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[(4-cyclohexyl-5-p-phenetyl-1,2,4-triazol-3-yl)thio]acetate Formula: C18H22N3O3S- MolecularWeight: 360.45058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC(=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC(=O)[O-]

InChI

InChI=1S/C18H23N3O3S/c1-2-24-15-10-8-13(9-11-15)17-19-20-18(25-12-16(22)23)21(17)14-6-4-3-5-7-14/h8-11,14H,2-7,12H2,1H3,(H,22,23)/p-1