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

Systemtic Name: 1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-nitro-pyrazole-3-carboxamide CAS Name: 1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-nitropyrazole-3-carboxamide Traditional Name: 1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-nitro-pyrazole-3-carboxamide Formula: C13H11N5O3S MolecularWeight: 317.32314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N5O3S/c1-7-3-4-8-10(5-7)22-13(14-8)15-12(19)11-9(18(20)21)6-17(2)16-11/h3-6H,1-2H3,(H,14,15,19)