1-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]-4-naphthalen-2-yl-phthalazine

Systemtic Name: 1-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]-4-naphthalen-2-yl-phthalazine Openeye Name: 1-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]-4-(2-naphthyl)phthalazine CAS Name: 1-[2-(4-methyl-1-piperazinyl)ethylthio]-4-(2-naphthalenyl)phthalazine IUPAC Name: 1-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]-4-naphthalen-2-ylphthalazine Traditional Name: 1-[2-(4-methylpiperazino)ethylthio]-4-(2-naphthyl)phthalazine Formula: C25H26N4S MolecularWeight: 414.56574

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCSC2=NN=C(C3=CC=CC=C32)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CN1CCN(CC1)CCSC2=NN=C(C3=CC=CC=C32)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C25H26N4S/c1-28-12-14-29(15-13-28)16-17-30-25-23-9-5-4-8-22(23)24(26-27-25)21-11-10-19-6-2-3-7-20(19)18-21/h2-11,18H,12-17H2,1H3