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

Systemtic Name: 2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4-phenyl-pyrimidine Openeye Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4-phenyl-pyrimidine CAS Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-4-phenylpyrimidine IUPAC Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4-phenylpyrimidine Traditional Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-4-phenyl-pyrimidine Formula: C18H13ClN2O2S MolecularWeight: 356.82602

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CSC3=NC=CC(=N3)C4=CC=CC=C4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CSC3=NC=CC(=N3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C18H13ClN2O2S/c19-14-9-17-16(22-11-23-17)8-13(14)10-24-18-20-7-6-15(21-18)12-4-2-1-3-5-12/h1-9H,10-11H2