3-(2-pyrimidin-2-ylsulfanylethoxy)aniline

Systemtic Name: 3-(2-pyrimidin-2-ylsulfanylethoxy)aniline Openeye Name: 3-(2-pyrimidin-2-ylsulfanylethoxy)aniline CAS Name: 3-[2-(2-pyrimidinylthio)ethoxy]aniline IUPAC Name: 3-(2-pyrimidin-2-ylsulfanylethoxy)aniline Traditional Name: [3-[2-(2-pyrimidylthio)ethoxy]phenyl]amine Formula: C12H13N3OS MolecularWeight: 247.31612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCCSC2=NC=CC=N2)N

Isomeric SMILES

C1=CC(=CC(=C1)OCCSC2=NC=CC=N2)N

InChI

InChI=1S/C12H13N3OS/c13-10-3-1-4-11(9-10)16-7-8-17-12-14-5-2-6-15-12/h1-6,9H,7-8,13H2