N-[(2-methyl-1,2-benzothiazol-3-ylidene)-$l^{4}-sulfanylidene]-4-nitro-benzenesulfonamide

Systemtic Name: N-[(2-methyl-1,2-benzothiazol-3-ylidene)-$l^{4}-sulfanylidene]-4-nitro-benzenesulfonamide Openeye Name: N-[(2-methyl-1,2-benzothiazol-3-ylidene)-$l^{4}-sulfanylidene]-4-nitro-benzenesulfonamide CAS Name: N-[(2-methyl-1,2-benzothiazol-3-ylidene)-$l^{4}-sulfanylidene]-4-nitrobenzenesulfonamide IUPAC Name: N-[(2-methyl-1,2-benzothiazol-3-ylidene)-$l^{4}-sulfanylidene]-4-nitrobenzenesulfonamide Traditional Name: N-[(2-methyl-1,2-benzothiazol-3-ylidene)sulfuranylidene]-4-nitro-benzenesulfonamide Formula: C14H11N3O4S3 MolecularWeight: 381.44984

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=S=NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3S1

Isomeric SMILES

CN1C(=S=NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3S1

InChI

InChI=1S/C14H11N3O4S3/c1-16-14(12-4-2-3-5-13(12)23-16)22-15-24(20,21)11-8-6-10(7-9-11)17(18)19/h2-9H,1H3