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

Systemtic Name: 4-[5-(1,3-benzoxazol-2-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]-2-(phenylmethyl)phthalazin-1-one Openeye Name: 4-[5-(1,3-benzoxazol-2-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]-2-benzyl-phthalazin-1-one CAS Name: 4-[5-(1,3-benzoxazol-2-ylmethylthio)-1,3,4-oxadiazol-2-yl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 4-[5-(1,3-benzoxazol-2-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]-2-benzylphthalazin-1-one Traditional Name: 4-[5-(1,3-benzoxazol-2-ylmethylthio)-1,3,4-oxadiazol-2-yl]-2-benzyl-phthalazin-1-one Formula: C25H17N5O3S MolecularWeight: 467.49918

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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=NC6=CC=CC=C6O5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C4=NN=C(O4)SCC5=NC6=CC=CC=C6O5

InChI

InChI=1S/C25H17N5O3S/c31-24-18-11-5-4-10-17(18)22(29-30(24)14-16-8-2-1-3-9-16)23-27-28-25(33-23)34-15-21-26-19-12-6-7-13-20(19)32-21/h1-13H,14-15H2