2-(1,3-benzothiazol-2-yl)-4-[1,3-bis(oxidanylidene)isoindol-2-yl]-6-methylsulfanyl-3-oxidanylidene-hexanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[1,3-bis(oxidanylidene)isoindol-2-yl]-6-methylsulfanyl-3-oxidanylidene-hexanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-(1,3-dioxoisoindolin-2-yl)-6-methylsulfanyl-3-oxo-hexanenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-4-(1,3-dioxo-2-isoindolyl)-6-(methylthio)-3-oxohexanenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-(1,3-dioxoisoindol-2-yl)-6-methylsulfanyl-3-oxohexanenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-keto-6-(methylthio)-4-phthalimido-hexanenitrile Formula: C22H17N3O3S2 MolecularWeight: 435.51868

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)C(C#N)C1=NC2=CC=CC=C2S1)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CSCCC(C(=O)C(C#N)C1=NC2=CC=CC=C2S1)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H17N3O3S2/c1-29-11-10-17(25-21(27)13-6-2-3-7-14(13)22(25)28)19(26)15(12-23)20-24-16-8-4-5-9-18(16)30-20/h2-9,15,17H,10-11H2,1H3