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

Systemtic Name: 2-(3H-1,3-benzothiazol-2-ylidene)-4-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-3-oxidanylidene-butanenitrile Openeye Name: 2-(3H-1,3-benzothiazol-2-ylidene)-4-(1-oxidopyridin-1-ium-2-yl)sulfanyl-3-oxo-butanenitrile CAS Name: 2-(3H-1,3-benzothiazol-2-ylidene)-4-[(1-oxido-2-pyridin-1-iumyl)thio]-3-oxobutanenitrile IUPAC Name: 2-(3H-1,3-benzothiazol-2-ylidene)-4-(1-oxidopyridin-1-ium-2-yl)sulfanyl-3-oxobutanenitrile Traditional Name: 2-(3H-1,3-benzothiazol-2-ylidene)-3-keto-4-[(1-oxidopyridin-1-ium-2-yl)thio]butyronitrile Formula: C16H11N3O2S2 MolecularWeight: 341.40744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C(C#N)C(=O)CSC3=CC=CC=[N+]3[O-])S2

Isomeric SMILES

C1=CC=C2C(=C1)NC(=C(C#N)C(=O)CSC3=CC=CC=[N+]3[O-])S2

InChI

InChI=1S/C16H11N3O2S2/c17-9-11(16-18-12-5-1-2-6-14(12)23-16)13(20)10-22-15-7-3-4-8-19(15)21/h1-8,18H,10H2