6-[[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[2-(methylthio)-1,3-benzothiazol-6-yl]amino]methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[[2-(methylthio)-1,3-benzothiazol-6-yl]amino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C15H11N3O3S2 MolecularWeight: 345.39614

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC=C3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC=C3C=C(C=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C15H11N3O3S2/c1-22-15-17-12-4-2-10(7-14(12)23-15)16-8-9-6-11(18(20)21)3-5-13(9)19/h2-8,16H,1H3