1-[3-[(3-azanylpyridin-4-yl)sulfanylmethyl]-4-ethoxy-phenyl]ethanone

Systemtic Name: 1-[3-[(3-azanylpyridin-4-yl)sulfanylmethyl]-4-ethoxy-phenyl]ethanone Openeye Name: 1-[3-[(3-amino-4-pyridyl)sulfanylmethyl]-4-ethoxy-phenyl]ethanone CAS Name: 1-[3-[[(3-amino-4-pyridinyl)thio]methyl]-4-ethoxyphenyl]ethanone IUPAC Name: 1-[3-[(3-aminopyridin-4-yl)sulfanylmethyl]-4-ethoxyphenyl]ethanone Traditional Name: 1-[3-[[(3-amino-4-pyridyl)thio]methyl]-4-ethoxy-phenyl]ethanone Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=C(C=NC=C2)N

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=C(C=NC=C2)N

InChI

InChI=1S/C16H18N2O2S/c1-3-20-15-5-4-12(11(2)19)8-13(15)10-21-16-6-7-18-9-14(16)17/h4-9H,3,10,17H2,1-2H3