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

Systemtic Name: 3-[[4-azanyl-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: 3-[[4-amino-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[4-amino-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: 3-[[4-amino-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[(4-amino-5-p-anisyl-1,2,4-triazol-3-yl)thio]propionate Formula: C13H15N4O3S- MolecularWeight: 307.3482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=NN=C(N2N)SCCC(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CC2=NN=C(N2N)SCCC(=O)[O-]

InChI

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