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

Systemtic Name: 2-[[5-[(4-chloranyl-3-methyl-phenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-[(4-chloro-3-methyl-phenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(4-chloro-3-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-[(4-chloro-3-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(4-chloro-3-methyl-phenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetate Formula: C18H15ClN3O3S- MolecularWeight: 388.848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)[O-])Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)[O-])Cl

InChI

InChI=1S/C18H16ClN3O3S/c1-12-9-14(7-8-15(12)19)25-10-16-20-21-18(26-11-17(23)24)22(16)13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,23,24)/p-1