2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide

Systemtic Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide Openeye Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide CAS Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide IUPAC Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide Traditional Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide Formula: C9H7N3O3S2 MolecularWeight: 269.30018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)SCC(=O)N

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)SCC(=O)N

InChI

InChI=1S/C9H7N3O3S2/c10-8(13)4-16-9-11-6-2-1-5(12(14)15)3-7(6)17-9/h1-3H,4H2,(H2,10,13)