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

Systemtic Name: 2-[[5-[(4-chloranyl-3-methyl-phenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-allyl-5-[(4-chloro-3-methyl-phenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(4-chloro-3-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-[(4-chloro-3-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-allyl-5-[(4-chloro-3-methyl-phenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetate Formula: C15H15ClN3O3S- MolecularWeight: 352.8159

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=NN=C(N2CC=C)SCC(=O)[O-])Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=NN=C(N2CC=C)SCC(=O)[O-])Cl

InChI

InChI=1S/C15H16ClN3O3S/c1-3-6-19-13(17-18-15(19)23-9-14(20)21)8-22-11-4-5-12(16)10(2)7-11/h3-5,7H,1,6,8-9H2,2H3,(H,20,21)/p-1