1-[4-(1,3-benzothiazol-2-ylcarbonyl)-1-(3-nitrophenyl)pyrazol-3-yl]ethanone

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylcarbonyl)-1-(3-nitrophenyl)pyrazol-3-yl]ethanone Openeye Name: 1-[4-(1,3-benzothiazole-2-carbonyl)-1-(3-nitrophenyl)pyrazol-3-yl]ethanone CAS Name: 1-[4-[1,3-benzothiazol-2-yl(oxo)methyl]-1-(3-nitrophenyl)-3-pyrazolyl]ethanone IUPAC Name: 1-[4-(1,3-benzothiazole-2-carbonyl)-1-(3-nitrophenyl)pyrazol-3-yl]ethanone Traditional Name: 1-[4-(1,3-benzothiazole-2-carbonyl)-1-(3-nitrophenyl)pyrazol-3-yl]ethanone Formula: C19H12N4O4S MolecularWeight: 392.38798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NN(C=C1C(=O)C2=NC3=CC=CC=C3S2)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=NN(C=C1C(=O)C2=NC3=CC=CC=C3S2)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H12N4O4S/c1-11(24)17-14(18(25)19-20-15-7-2-3-8-16(15)28-19)10-22(21-17)12-5-4-6-13(9-12)23(26)27/h2-10H,1H3