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

Systemtic Name: 4-[[5-[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]butanenitrile Openeye Name: 4-[[5-(3-benzyl-4-oxo-phthalazin-1-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanenitrile CAS Name: 4-[[5-[4-oxo-3-(phenylmethyl)-1-phthalazinyl]-1,3,4-oxadiazol-2-yl]thio]butanenitrile IUPAC Name: 4-[[5-(3-benzyl-4-oxophthalazin-1-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanenitrile Traditional Name: 4-[[5-(3-benzyl-4-keto-phthalazin-1-yl)-1,3,4-oxadiazol-2-yl]thio]butyronitrile Formula: C21H17N5O2S MolecularWeight: 403.45698

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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)SCCCC#N

Isomeric SMILES

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

InChI

InChI=1S/C21H17N5O2S/c22-12-6-7-13-29-21-24-23-19(28-21)18-16-10-4-5-11-17(16)20(27)26(25-18)14-15-8-2-1-3-9-15/h1-5,8-11H,6-7,13-14H2