4-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide

Systemtic Name: 4-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide Openeye Name: 4-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-[4-(3,4-dimethylphenyl)thiazol-2-yl]benzamide CAS Name: 4-[(4-bromo-3-nitro-1-pyrazolyl)methyl]-N-[4-(3,4-dimethylphenyl)-2-thiazolyl]benzamide IUPAC Name: 4-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide Traditional Name: 4-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-[4-(3,4-dimethylphenyl)thiazol-2-yl]benzamide Formula: C22H18BrN5O3S MolecularWeight: 512.37902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)CN4C=C(C(=N4)[N+](=O)[O-])Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)CN4C=C(C(=N4)[N+](=O)[O-])Br)C

InChI

InChI=1S/C22H18BrN5O3S/c1-13-3-6-17(9-14(13)2)19-12-32-22(24-19)25-21(29)16-7-4-15(5-8-16)10-27-11-18(23)20(26-27)28(30)31/h3-9,11-12H,10H2,1-2H3,(H,24,25,29)