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

Systemtic Name: 3-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-5-carboxamide Openeye Name: 3-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-5-carboxamide CAS Name: 3-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 3-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: 3-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-5-carboxamide Formula: C13H11N5O4S MolecularWeight: 333.32254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C(=NN3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C(=NN3)OC)[N+](=O)[O-]

InChI

InChI=1S/C13H11N5O4S/c1-6-3-4-7-8(5-6)23-13(14-7)15-11(19)9-10(18(20)21)12(22-2)17-16-9/h3-5H,1-2H3,(H,16,17)(H,14,15,19)