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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC2=NN=C(N2N)SCC(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CCC2=NN=C(N2N)SCC(=O)[O-]

InChI

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