(2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-4-pyridin-2-ylsulfanyl-butanenitrile

Systemtic Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-4-pyridin-2-ylsulfanyl-butanenitrile Openeye Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-4-(2-pyridylsulfanyl)butanenitrile CAS Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-4-(2-pyridinylthio)butanenitrile IUPAC Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-4-pyridin-2-ylsulfanylbutanenitrile Traditional Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-3-keto-4-(2-pyridylthio)butyronitrile Formula: C16H11N3OS2 MolecularWeight: 325.40804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C(C#N)C(=O)CSC3=CC=CC=N3)S2

Isomeric SMILES

C1=CC=C2C(=C1)N/C(=C(\C#N)/C(=O)CSC3=CC=CC=N3)/S2

InChI

InChI=1S/C16H11N3OS2/c17-9-11(13(20)10-21-15-7-3-4-8-18-15)16-19-12-5-1-2-6-14(12)22-16/h1-8,19H,10H2/b16-11-