2-(3H-1,3-benzothiazol-2-ylidene)-2-(3-oxidanylideneisoindol-1-yl)ethanenitrile

Systemtic Name: 2-(3H-1,3-benzothiazol-2-ylidene)-2-(3-oxidanylideneisoindol-1-yl)ethanenitrile Openeye Name: 2-(3H-1,3-benzothiazol-2-ylidene)-2-(3-oxoisoindol-1-yl)acetonitrile CAS Name: 2-(3H-1,3-benzothiazol-2-ylidene)-2-(3-oxo-1-isoindolyl)acetonitrile IUPAC Name: 2-(3H-1,3-benzothiazol-2-ylidene)-2-(3-oxoisoindol-1-yl)acetonitrile Traditional Name: 2-(3H-1,3-benzothiazol-2-ylidene)-2-(3-ketoisoindol-1-yl)acetonitrile Formula: C17H9N3OS MolecularWeight: 303.33786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC2=O)C(=C3NC4=CC=CC=C4S3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC2=O)C(=C3NC4=CC=CC=C4S3)C#N

InChI

InChI=1S/C17H9N3OS/c18-9-12(17-19-13-7-3-4-8-14(13)22-17)15-10-5-1-2-6-11(10)16(21)20-15/h1-8,19H