1,4-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide

Systemtic Name: 1,4-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide Openeye Name: 1,4-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide CAS Name: 1,4-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)-3-pyrazolecarboxamide IUPAC Name: 1,4-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide Traditional Name: 1,4-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide Formula: C13H11N5O3S MolecularWeight: 317.32314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(N=C1C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CN(N=C1C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C13H11N5O3S/c1-7-6-17(2)16-11(7)12(19)15-13-14-9-4-3-8(18(20)21)5-10(9)22-13/h3-6H,1-2H3,(H,14,15,19)