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

Systemtic Name: 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4-methyl-phthalazine Openeye Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4-methyl-phthalazine CAS Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-4-methylphthalazine IUPAC Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4-methylphthalazine Traditional Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-4-methyl-phthalazine Formula: C17H13ClN2O2S MolecularWeight: 344.81532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(C2=CC=CC=C12)SCC3=CC4=C(C=C3Cl)OCO4

Isomeric SMILES

CC1=NN=C(C2=CC=CC=C12)SCC3=CC4=C(C=C3Cl)OCO4

InChI

InChI=1S/C17H13ClN2O2S/c1-10-12-4-2-3-5-13(12)17(20-19-10)23-8-11-6-15-16(7-14(11)18)22-9-21-15/h2-7H,8-9H2,1H3