4-(2-pyrimidin-2-ylsulfanylethoxy)aniline

Systemtic Name: 4-(2-pyrimidin-2-ylsulfanylethoxy)aniline Openeye Name: 4-(2-pyrimidin-2-ylsulfanylethoxy)aniline CAS Name: 4-[2-(2-pyrimidinylthio)ethoxy]aniline IUPAC Name: 4-(2-pyrimidin-2-ylsulfanylethoxy)aniline Traditional Name: [4-[2-(2-pyrimidylthio)ethoxy]phenyl]amine Formula: C12H13N3OS MolecularWeight: 247.31612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCCOC2=CC=C(C=C2)N

Isomeric SMILES

C1=CN=C(N=C1)SCCOC2=CC=C(C=C2)N

InChI

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