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

Systemtic Name: 2-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-nitro-pyrazole-3-carboxamide Openeye Name: 2-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-nitro-pyrazole-3-carboxamide CAS Name: 2-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-nitro-3-pyrazolecarboxamide IUPAC Name: 2-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-4-nitropyrazole-3-carboxamide Traditional Name: 2-ethyl-N-(4-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)[N+](=O)[O-])C(=O)NC2=NC3=C(C=CC=C3S2)C

Isomeric SMILES

CCN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=NC3=C(C=CC=C3S2)C

InChI

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