2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4-methyl-pyrimidine

Systemtic Name: 2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4-methyl-pyrimidine Openeye Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4-methyl-pyrimidine CAS Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-4-methylpyrimidine IUPAC Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4-methylpyrimidine Traditional Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-4-methyl-pyrimidine Formula: C13H11ClN2O2S MolecularWeight: 294.75664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCC2=CC3=C(C=C2Cl)OCO3

Isomeric SMILES

CC1=NC(=NC=C1)SCC2=CC3=C(C=C2Cl)OCO3

InChI

InChI=1S/C13H11ClN2O2S/c1-8-2-3-15-13(16-8)19-6-9-4-11-12(5-10(9)14)18-7-17-11/h2-5H,6-7H2,1H3