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

Systemtic Name: 4-[5-(2-chloranylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]-2-(phenylmethyl)phthalazin-1-one Openeye Name: 2-benzyl-4-[5-(2-chloroallylsulfanyl)-1,3,4-oxadiazol-2-yl]phthalazin-1-one CAS Name: 4-[5-(2-chloroprop-2-enylthio)-1,3,4-oxadiazol-2-yl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-[5-(2-chloroprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]phthalazin-1-one Traditional Name: 2-benzyl-4-[5-(2-chloroallylthio)-1,3,4-oxadiazol-2-yl]phthalazin-1-one Formula: C20H15ClN4O2S MolecularWeight: 410.8767

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Descriptors Computed from Structure

Canonical SMILES:

C=C(CSC1=NN=C(O1)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)Cl

Isomeric SMILES

C=C(CSC1=NN=C(O1)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C20H15ClN4O2S/c1-13(21)12-28-20-23-22-18(27-20)17-15-9-5-6-10-16(15)19(26)25(24-17)11-14-7-3-2-4-8-14/h2-10H,1,11-12H2