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

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone CAS Name: 2-(1,3-benzoxazol-2-ylthio)-1-[4-(4-phenyl-1-phthalazinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-1-[4-(4-phenylphthalazin-1-yl)piperazino]ethanone Formula: C27H23N5O2S MolecularWeight: 481.56882

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4)C(=O)CSC5=NC6=CC=CC=C6O5

Isomeric SMILES

C1CN(CCN1C2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4)C(=O)CSC5=NC6=CC=CC=C6O5

InChI

InChI=1S/C27H23N5O2S/c33-24(18-35-27-28-22-12-6-7-13-23(22)34-27)31-14-16-32(17-15-31)26-21-11-5-4-10-20(21)25(29-30-26)19-8-2-1-3-9-19/h1-13H,14-18H2