3-nitro-N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)benzamide

Systemtic Name: 3-nitro-N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)benzamide Openeye Name: 3-nitro-N-(2-thioxo-3H-1,3-benzothiazol-6-yl)benzamide CAS Name: 3-nitro-N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)benzamide IUPAC Name: 3-nitro-N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)benzamide Traditional Name: 3-nitro-N-(2-thioxo-3H-1,3-benzothiazol-6-yl)benzamide Formula: C14H9N3O3S2 MolecularWeight: 331.36956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)NC(=S)S3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)NC(=S)S3

InChI

InChI=1S/C14H9N3O3S2/c18-13(8-2-1-3-10(6-8)17(19)20)15-9-4-5-11-12(7-9)22-14(21)16-11/h1-7H,(H,15,18)(H,16,21)