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

Systemtic Name: methyl 2-[[4-azanyl-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[4-amino-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-amino-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[4-amino-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[(4-amino-5-p-anisyl-1,2,4-triazol-3-yl)thio]acetic acid methyl ester Formula: C13H16N4O3S MolecularWeight: 308.35614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=NN=C(N2N)SCC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)CC2=NN=C(N2N)SCC(=O)OC

InChI

InChI=1S/C13H16N4O3S/c1-19-10-5-3-9(4-6-10)7-11-15-16-13(17(11)14)21-8-12(18)20-2/h3-6H,7-8,14H2,1-2H3