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

Systemtic Name: 4-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]pyrimidine Openeye Name: 4-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]pyrimidine CAS Name: 4-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]pyrimidine IUPAC Name: 4-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]pyrimidine Traditional Name: 4-[(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=NC=C3)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CSC3=NC=NC=C3)Cl

InChI

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