(2E,3Z)-2-(3H-1,3-benzothiazol-2-ylidene)-3-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)propanenitrile

Systemtic Name: (2E,3Z)-2-(3H-1,3-benzothiazol-2-ylidene)-3-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)propanenitrile Openeye Name: (2E,3Z)-2-(3H-1,3-benzothiazol-2-ylidene)-3-(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)propanenitrile CAS Name: (2E,3Z)-2-(3H-1,3-benzothiazol-2-ylidene)-3-(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)propanenitrile IUPAC Name: (2E,3Z)-2-(3H-1,3-benzothiazol-2-ylidene)-3-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)propanenitrile Traditional Name: (2E,3Z)-2-(3H-1,3-benzothiazol-2-ylidene)-3-(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)propionitrile Formula: C16H9N3O3S MolecularWeight: 323.32596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C(C=C3C=C(C=CC3=O)[N+](=O)[O-])C#N)S2

Isomeric SMILES

C1=CC=C2C(=C1)N/C(=C(/C=C\3/C=C(C=CC3=O)[N+](=O)[O-])\C#N)/S2

InChI

InChI=1S/C16H9N3O3S/c17-9-11(16-18-13-3-1-2-4-15(13)23-16)7-10-8-12(19(21)22)5-6-14(10)20/h1-8,18H/b10-7-,16-11+