(2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-3-oxidanylidene-pentanenitrile

Systemtic Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-3-oxidanylidene-pentanenitrile Openeye Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-(1-oxidopyridin-1-ium-2-yl)sulfanyl-3-oxo-pentanenitrile CAS Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-[(1-oxido-2-pyridin-1-iumyl)thio]-3-oxopentanenitrile IUPAC Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-(1-oxidopyridin-1-ium-2-yl)sulfanyl-3-oxopentanenitrile Traditional Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-keto-4-[(1-oxidopyridin-1-ium-2-yl)thio]valeronitrile Formula: C17H13N3O2S2 MolecularWeight: 355.43402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(=C1NC2=CC=CC=C2S1)C#N)SC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC(C(=O)/C(=C/1\NC2=CC=CC=C2S1)/C#N)SC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C17H13N3O2S2/c1-11(23-15-8-4-5-9-20(15)22)16(21)12(10-18)17-19-13-6-2-3-7-14(13)24-17/h2-9,11,19H,1H3/b17-12+