2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]ethanone

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]ethanone Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-[4-(p-tolyl)phthalazin-1-yl]piperazin-1-yl]ethanone CAS Name: 2-(1,3-benzoxazol-2-ylthio)-1-[4-[4-(4-methylphenyl)-1-phthalazinyl]-1-piperazinyl]ethanone IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]ethanone Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-1-[4-[4-(p-tolyl)phthalazin-1-yl]piperazino]ethanone Formula: C28H25N5O2S MolecularWeight: 495.5954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C(=O)CSC5=NC6=CC=CC=C6O5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C(=O)CSC5=NC6=CC=CC=C6O5

InChI

InChI=1S/C28H25N5O2S/c1-19-10-12-20(13-11-19)26-21-6-2-3-7-22(21)27(31-30-26)33-16-14-32(15-17-33)25(34)18-36-28-29-23-8-4-5-9-24(23)35-28/h2-13H,14-18H2,1H3