methyl 4-[(3-azanylpyridin-4-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(3-azanylpyridin-4-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(3-amino-4-pyridyl)sulfanylmethyl]benzoate CAS Name: 4-[[(3-amino-4-pyridinyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-aminopyridin-4-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(3-amino-4-pyridyl)thio]methyl]benzoic acid methyl ester Formula: C14H14N2O2S MolecularWeight: 274.33816

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=C(C=NC=C2)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=C(C=NC=C2)N

InChI

InChI=1S/C14H14N2O2S/c1-18-14(17)11-4-2-10(3-5-11)9-19-13-6-7-16-8-12(13)15/h2-8H,9,15H2,1H3