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

Systemtic Name: 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4-(4-methylphenyl)phthalazine Openeye Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4-(p-tolyl)phthalazine CAS Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-4-(4-methylphenyl)phthalazine IUPAC Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4-(4-methylphenyl)phthalazine Traditional Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-4-(p-tolyl)phthalazine Formula: C23H17ClN2O2S MolecularWeight: 420.91128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SCC4=CC5=C(C=C4Cl)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SCC4=CC5=C(C=C4Cl)OCO5

InChI

InChI=1S/C23H17ClN2O2S/c1-14-6-8-15(9-7-14)22-17-4-2-3-5-18(17)23(26-25-22)29-12-16-10-20-21(11-19(16)24)28-13-27-20/h2-11H,12-13H2,1H3