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

Systemtic Name: 2-[[5-[(2-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-allyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(2-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-[(2-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-allyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetate Formula: C15H16N3O3S- MolecularWeight: 318.37084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC2=NN=C(N2CC=C)SCC(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1OCC2=NN=C(N2CC=C)SCC(=O)[O-]

InChI

InChI=1S/C15H17N3O3S/c1-3-8-18-13(16-17-15(18)22-10-14(19)20)9-21-12-7-5-4-6-11(12)2/h3-7H,1,8-10H2,2H3,(H,19,20)/p-1