N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-5-carboxamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-5-carboxamide Formula: C12H9N5O4S MolecularWeight: 319.29596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=NN3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=NN3)[N+](=O)[O-]

InChI

InChI=1S/C12H9N5O4S/c1-21-6-2-3-7-9(4-6)22-12(14-7)15-11(18)10-8(17(19)20)5-13-16-10/h2-5H,1H3,(H,13,16)(H,14,15,18)