2-(phenylmethyl)-4-[5-(quinolin-8-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]phthalazin-1-one

Systemtic Name: 2-(phenylmethyl)-4-[5-(quinolin-8-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]phthalazin-1-one Openeye Name: 2-benzyl-4-[5-(8-quinolylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]phthalazin-1-one CAS Name: 2-(phenylmethyl)-4-[5-(8-quinolinylmethylthio)-1,3,4-oxadiazol-2-yl]-1-phthalazinone IUPAC Name: 2-benzyl-4-[5-(quinolin-8-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]phthalazin-1-one Traditional Name: 2-benzyl-4-[5-(8-quinolylmethylthio)-1,3,4-oxadiazol-2-yl]phthalazin-1-one Formula: C27H19N5O2S MolecularWeight: 477.53706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C4=NN=C(O4)SCC5=CC=CC6=C5N=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C4=NN=C(O4)SCC5=CC=CC6=C5N=CC=C6

InChI

InChI=1S/C27H19N5O2S/c33-26-22-14-5-4-13-21(22)24(31-32(26)16-18-8-2-1-3-9-18)25-29-30-27(34-25)35-17-20-11-6-10-19-12-7-15-28-23(19)20/h1-15H,16-17H2