2-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]pyrimidine

Systemtic Name: 2-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]pyrimidine Openeye Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]pyrimidine CAS Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]pyrimidine IUPAC Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]pyrimidine Traditional Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]pyrimidine Formula: C13H11ClN2O2S MolecularWeight: 294.75664

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C=C2Cl)CSC3=NC=CC=N3

Isomeric SMILES

C1COC2=C(O1)C=C(C=C2Cl)CSC3=NC=CC=N3

InChI

InChI=1S/C13H11ClN2O2S/c14-10-6-9(7-11-12(10)18-5-4-17-11)8-19-13-15-2-1-3-16-13/h1-3,6-7H,4-5,8H2