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

Systemtic Name: 4-[[5-[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[5-(3-benzyl-4-oxo-phthalazin-1-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[5-[4-oxo-3-(phenylmethyl)-1-phthalazinyl]-1,3,4-oxadiazol-2-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[5-(3-benzyl-4-oxophthalazin-1-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[5-(3-benzyl-4-keto-phthalazin-1-yl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzonitrile Formula: C25H17N5O2S MolecularWeight: 451.49978

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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=C(C=C5)C#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C4=NN=C(O4)SCC5=CC=C(C=C5)C#N

InChI

InChI=1S/C25H17N5O2S/c26-14-17-10-12-19(13-11-17)16-33-25-28-27-23(32-25)22-20-8-4-5-9-21(20)24(31)30(29-22)15-18-6-2-1-3-7-18/h1-13H,15-16H2