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

Systemtic Name: 2-[[5-[(4-methylphenoxy)methyl]-4-prop-2-enyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-allyl-5-[(4-methylphenoxy)methyl]-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(4-methylphenoxy)methyl]-4-prop-2-enyl-1H-1,2,4-triazol-4-ium-3-yl]thio]acetate IUPAC Name: 2-[[5-[(4-methylphenoxy)methyl]-4-prop-2-enyl-1H-1,2,4-triazol-4-ium-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-allyl-5-[(4-methylphenoxy)methyl]-1H-1,2,4-triazol-4-ium-3-yl]thio]acetate Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC2=[N+](C(=NN2)SCC(=O)[O-])CC=C

Isomeric SMILES

CC1=CC=C(C=C1)OCC2=[N+](C(=NN2)SCC(=O)[O-])CC=C

InChI

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