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

Systemtic Name: 2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]pyrimidine Openeye Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]pyrimidine CAS Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]pyrimidine IUPAC Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]pyrimidine Traditional Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]pyrimidine Formula: C12H9ClN2O2S MolecularWeight: 280.73006

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CSC3=NC=CC=N3)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CSC3=NC=CC=N3)Cl

InChI

InChI=1S/C12H9ClN2O2S/c13-9-5-11-10(16-7-17-11)4-8(9)6-18-12-14-2-1-3-15-12/h1-5H,6-7H2