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

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-1,5-dimethyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-1,5-dimethyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-1,5-dimethyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide Traditional Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-1,5-dimethyl-4-nitro-pyrazole-3-carboxamide Formula: C14H13N5O4S MolecularWeight: 347.34912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C(=O)NC2=NC3=C(S2)C=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C)C(=O)NC2=NC3=C(S2)C=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C14H13N5O4S/c1-7-12(19(21)22)11(17-18(7)2)13(20)16-14-15-9-5-4-8(23-3)6-10(9)24-14/h4-6H,1-3H3,(H,15,16,20)