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

Systemtic Name: 2,5-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-nitro-pyrazole-3-carboxamide Openeye Name: 2,5-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-nitro-pyrazole-3-carboxamide CAS Name: 2,5-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-nitro-3-pyrazolecarboxamide IUPAC Name: 2,5-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-nitropyrazole-3-carboxamide Traditional Name: 2,5-dimethyl-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:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C(=NN3C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C(=NN3C)C)[N+](=O)[O-]

InChI

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