1-[3-(1,3-benzothiazol-2-ylcarbonyl)-5-methyl-1-(4-nitrophenyl)pyrazol-4-yl]ethanone

Systemtic Name: 1-[3-(1,3-benzothiazol-2-ylcarbonyl)-5-methyl-1-(4-nitrophenyl)pyrazol-4-yl]ethanone Openeye Name: 1-[3-(1,3-benzothiazole-2-carbonyl)-5-methyl-1-(4-nitrophenyl)pyrazol-4-yl]ethanone CAS Name: 1-[3-[1,3-benzothiazol-2-yl(oxo)methyl]-5-methyl-1-(4-nitrophenyl)-4-pyrazolyl]ethanone IUPAC Name: 1-[3-(1,3-benzothiazole-2-carbonyl)-5-methyl-1-(4-nitrophenyl)pyrazol-4-yl]ethanone Traditional Name: 1-[3-(1,3-benzothiazole-2-carbonyl)-5-methyl-1-(4-nitrophenyl)pyrazol-4-yl]ethanone Formula: C20H14N4O4S MolecularWeight: 406.41456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=NC4=CC=CC=C4S3)C(=O)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=NC4=CC=CC=C4S3)C(=O)C

InChI

InChI=1S/C20H14N4O4S/c1-11-17(12(2)25)18(19(26)20-21-15-5-3-4-6-16(15)29-20)22-23(11)13-7-9-14(10-8-13)24(27)28/h3-10H,1-2H3