N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)-3-nitro-benzamide

Systemtic Name: N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)-3-nitro-benzamide Openeye Name: N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)-3-nitro-benzamide CAS Name: N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide IUPAC Name: N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide Traditional Name: N-(6-mesyl-3-methyl-1,3-benzothiazol-2-ylidene)-3-nitro-benzamide Formula: C16H13N3O5S2 MolecularWeight: 391.42152

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O5S2/c1-18-13-7-6-12(26(2,23)24)9-14(13)25-16(18)17-15(20)10-4-3-5-11(8-10)19(21)22/h3-9H,1-2H3