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

Systemtic Name: 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4-(4-chlorophenyl)phthalazine Openeye Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4-(4-chlorophenyl)phthalazine CAS Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-4-(4-chlorophenyl)phthalazine IUPAC Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4-(4-chlorophenyl)phthalazine Traditional Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-4-(4-chlorophenyl)phthalazine Formula: C22H14Cl2N2O2S MolecularWeight: 441.32976

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CSC3=NN=C(C4=CC=CC=C43)C5=CC=C(C=C5)Cl)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CSC3=NN=C(C4=CC=CC=C43)C5=CC=C(C=C5)Cl)Cl

InChI

InChI=1S/C22H14Cl2N2O2S/c23-15-7-5-13(6-8-15)21-16-3-1-2-4-17(16)22(26-25-21)29-11-14-9-19-20(10-18(14)24)28-12-27-19/h1-10H,11-12H2