N-(1,3-benzothiazol-2-yl)-2-(3-nitropyrazol-1-yl)ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-(3-nitropyrazol-1-yl)ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-(3-nitro-1-pyrazolyl)acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide Formula: C12H9N5O3S MolecularWeight: 303.29656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)CN3C=CC(=N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)CN3C=CC(=N3)[N+](=O)[O-]

InChI

InChI=1S/C12H9N5O3S/c18-11(7-16-6-5-10(15-16)17(19)20)14-12-13-8-3-1-2-4-9(8)21-12/h1-6H,7H2,(H,13,14,18)