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

Systemtic Name: 2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetate IUPAC Name: 2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]acetate Formula: C8H10N3O2S- MolecularWeight: 212.2489

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SCC(=O)[O-]

Isomeric SMILES

CC1=NN=C(N1CC=C)SCC(=O)[O-]

InChI

InChI=1S/C8H11N3O2S/c1-3-4-11-6(2)9-10-8(11)14-5-7(12)13/h3H,1,4-5H2,2H3,(H,12,13)/p-1