(NE)-N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-3-nitro-benzenesulfonamide

Systemtic Name: (NE)-N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-3-nitro-benzenesulfonamide Openeye Name: (NE)-N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-oxo-cyclohexa-2,5-dien-1-ylidene]-3-nitro-benzenesulfonamide CAS Name: (NE)-N-[3-(1,3-benzothiazol-2-ylthio)-4-oxo-1-cyclohexa-2,5-dienylidene]-3-nitrobenzenesulfonamide IUPAC Name: (NE)-N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-oxocyclohexa-2,5-dien-1-ylidene]-3-nitrobenzenesulfonamide Traditional Name: (NE)-N-[3-(1,3-benzothiazol-2-ylthio)-4-keto-cyclohexa-2,5-dien-1-ylidene]-3-nitro-benzenesulfonamide Formula: C19H11N3O5S3 MolecularWeight: 457.50274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC3=CC(=NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])C=CC3=O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC3=C/C(=N/S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])/C=CC3=O

InChI

InChI=1S/C19H11N3O5S3/c23-16-9-8-12(21-30(26,27)14-5-3-4-13(11-14)22(24)25)10-18(16)29-19-20-15-6-1-2-7-17(15)28-19/h1-11H/b21-12+