2-[[5-[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanenitrile

Systemtic Name: 2-[[5-[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanenitrile Openeye Name: 2-[[5-(3-benzyl-4-oxo-phthalazin-1-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanenitrile CAS Name: 2-[[5-[4-oxo-3-(phenylmethyl)-1-phthalazinyl]-1,3,4-oxadiazol-2-yl]thio]propanenitrile IUPAC Name: 2-[[5-(3-benzyl-4-oxophthalazin-1-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanenitrile Traditional Name: 2-[[5-(3-benzyl-4-keto-phthalazin-1-yl)-1,3,4-oxadiazol-2-yl]thio]propionitrile Formula: C20H15N5O2S MolecularWeight: 389.4304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=NN=C(O1)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CC(C#N)SC1=NN=C(O1)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C20H15N5O2S/c1-13(11-21)28-20-23-22-18(27-20)17-15-9-5-6-10-16(15)19(26)25(24-17)12-14-7-3-2-4-8-14/h2-10,13H,12H2,1H3