N-[4-(3-bromanyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanamide

Systemtic Name: N-[4-(3-bromanyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanamide Openeye Name: N-[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide CAS Name: N-[4-(3-bromo-4-methoxyphenyl)-2-thiazolyl]-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetamide IUPAC Name: N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide Traditional Name: N-[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide Formula: C17H16BrN5O4S MolecularWeight: 466.30904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)Br)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)Br)C)[N+](=O)[O-]

InChI

InChI=1S/C17H16BrN5O4S/c1-9-16(23(25)26)10(2)22(21-9)7-15(24)20-17-19-13(8-28-17)11-4-5-14(27-3)12(18)6-11/h4-6,8H,7H2,1-3H3,(H,19,20,24)