3-bromanyl-2-(pyrimidin-2-ylsulfanylmethyl)aniline

Systemtic Name: 3-bromanyl-2-(pyrimidin-2-ylsulfanylmethyl)aniline Openeye Name: 3-bromo-2-(pyrimidin-2-ylsulfanylmethyl)aniline CAS Name: 3-bromo-2-[(2-pyrimidinylthio)methyl]aniline IUPAC Name: 3-bromo-2-(pyrimidin-2-ylsulfanylmethyl)aniline Traditional Name: [3-bromo-2-[(2-pyrimidylthio)methyl]phenyl]amine Formula: C11H10BrN3S MolecularWeight: 296.1862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Br)CSC2=NC=CC=N2)N

Isomeric SMILES

C1=CC(=C(C(=C1)Br)CSC2=NC=CC=N2)N

InChI

InChI=1S/C11H10BrN3S/c12-9-3-1-4-10(13)8(9)7-16-11-14-5-2-6-15-11/h1-6H,7,13H2