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

Systemtic Name: 2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4,5-diphenyl-pyrimidine Openeye Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4,5-diphenyl-pyrimidine CAS Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-4,5-diphenylpyrimidine IUPAC Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4,5-diphenylpyrimidine Traditional Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-4,5-diphenyl-pyrimidine Formula: C24H17ClN2O2S MolecularWeight: 432.92198

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CSC3=NC=C(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CSC3=NC=C(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C24H17ClN2O2S/c25-20-12-22-21(28-15-29-22)11-18(20)14-30-24-26-13-19(16-7-3-1-4-8-16)23(27-24)17-9-5-2-6-10-17/h1-13H,14-15H2