1-[[2,5-dimethoxy-4-[(4-methylphthalazin-1-yl)sulfanylmethyl]phenyl]methylsulfanyl]-4-methyl-phthalazine

Systemtic Name: 1-[[2,5-dimethoxy-4-[(4-methylphthalazin-1-yl)sulfanylmethyl]phenyl]methylsulfanyl]-4-methyl-phthalazine Openeye Name: 1-[[2,5-dimethoxy-4-[(4-methylphthalazin-1-yl)sulfanylmethyl]phenyl]methylsulfanyl]-4-methyl-phthalazine CAS Name: 1-[[2,5-dimethoxy-4-[[(4-methyl-1-phthalazinyl)thio]methyl]phenyl]methylthio]-4-methylphthalazine IUPAC Name: 1-[[2,5-dimethoxy-4-[(4-methylphthalazin-1-yl)sulfanylmethyl]phenyl]methylsulfanyl]-4-methylphthalazine Traditional Name: 1-[[2,5-dimethoxy-4-[[(4-methylphthalazin-1-yl)thio]methyl]benzyl]thio]-4-methyl-phthalazine Formula: C28H26N4O2S2 MolecularWeight: 514.66164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(C2=CC=CC=C12)SCC3=CC(=C(C=C3OC)CSC4=NN=C(C5=CC=CC=C54)C)OC

Isomeric SMILES

CC1=NN=C(C2=CC=CC=C12)SCC3=CC(=C(C=C3OC)CSC4=NN=C(C5=CC=CC=C54)C)OC

InChI

InChI=1S/C28H26N4O2S2/c1-17-21-9-5-7-11-23(21)27(31-29-17)35-15-19-13-26(34-4)20(14-25(19)33-3)16-36-28-24-12-8-6-10-22(24)18(2)30-32-28/h5-14H,15-16H2,1-4H3