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

Systemtic Name: 2-[[5-[(4-chloranyl-2-methyl-phenoxy)methyl]-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-[(4-chloro-2-methyl-phenoxy)methyl]-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(4-chloro-2-methylphenoxy)methyl]-4-cyclohexyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-[(4-chloro-2-methylphenoxy)methyl]-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(4-chloro-2-methyl-phenoxy)methyl]-4-cyclohexyl-1,2,4-triazol-3-yl]thio]acetate Formula: C18H21ClN3O3S- MolecularWeight: 394.89564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCC2=NN=C(N2C3CCCCC3)SCC(=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCC2=NN=C(N2C3CCCCC3)SCC(=O)[O-]

InChI

InChI=1S/C18H22ClN3O3S/c1-12-9-13(19)7-8-15(12)25-10-16-20-21-18(26-11-17(23)24)22(16)14-5-3-2-4-6-14/h7-9,14H,2-6,10-11H2,1H3,(H,23,24)/p-1