2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(1-methyltetrazol-5-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[(1-methyl-5-tetrazolyl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(1-methyltetrazol-5-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[(1-methyltetrazol-5-yl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C11H9N7O3S2 MolecularWeight: 351.36426

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=N1)SCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C11H9N7O3S2/c1-17-11(14-15-16-17)22-5-9(19)13-10-12-7-3-2-6(18(20)21)4-8(7)23-10/h2-4H,5H2,1H3,(H,12,13,19)