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

Systemtic Name: 1-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-nitro-pyrazole-3-carboxamide CAS Name: 1-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-nitropyrazole-3-carboxamide Traditional Name: 1-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-nitro-pyrazole-3-carboxamide Formula: C14H13N5O3S MolecularWeight: 331.34972

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C14H13N5O3S/c1-3-18-7-10(19(21)22)12(17-18)13(20)16-14-15-9-5-4-8(2)6-11(9)23-14/h4-7H,3H2,1-2H3,(H,15,16,20)