1-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide

Systemtic Name: 1-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide Openeye Name: 1-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide CAS Name: 1-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-3-pyrazolecarboxamide IUPAC Name: 1-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide Traditional Name: 1-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide Formula: C12H9N5O3S MolecularWeight: 303.29656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9N5O3S/c1-16-5-4-9(15-16)11(18)14-12-13-8-3-2-7(17(19)20)6-10(8)21-12/h2-6H,1H3,(H,13,14,18)