2-[[4-azanyl-5-[2-(3-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-azanyl-5-[2-(3-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-amino-5-[2-(3-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-amino-5-[2-(3-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-amino-5-[2-(3-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-amino-5-[2-(3-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]thio]acetate Formula: C13H15N4O3S- MolecularWeight: 307.3482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCC2=NN=C(N2N)SCC(=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OCCC2=NN=C(N2N)SCC(=O)[O-]

InChI

InChI=1S/C13H16N4O3S/c1-9-3-2-4-10(7-9)20-6-5-11-15-16-13(17(11)14)21-8-12(18)19/h2-4,7H,5-6,8,14H2,1H3,(H,18,19)/p-1