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

Systemtic Name: [3-(1,3-benzothiazol-2-ylcarbonyl)-1-(4-nitrophenyl)pyrazol-4-yl]-naphthalen-2-yl-methanone Openeye Name: [3-(1,3-benzothiazole-2-carbonyl)-1-(4-nitrophenyl)pyrazol-4-yl]-(2-naphthyl)methanone CAS Name: [3-[1,3-benzothiazol-2-yl(oxo)methyl]-1-(4-nitrophenyl)-4-pyrazolyl]-(2-naphthalenyl)methanone IUPAC Name: [3-(1,3-benzothiazole-2-carbonyl)-1-(4-nitrophenyl)pyrazol-4-yl]-naphthalen-2-ylmethanone Traditional Name: [3-(1,3-benzothiazole-2-carbonyl)-1-(4-nitrophenyl)pyrazol-4-yl]-(2-naphthyl)methanone Formula: C28H16N4O4S MolecularWeight: 504.51604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C(=O)C3=CN(N=C3C(=O)C4=NC5=CC=CC=C5S4)C6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C(=O)C3=CN(N=C3C(=O)C4=NC5=CC=CC=C5S4)C6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C28H16N4O4S/c33-26(19-10-9-17-5-1-2-6-18(17)15-19)22-16-31(20-11-13-21(14-12-20)32(35)36)30-25(22)27(34)28-29-23-7-3-4-8-24(23)37-28/h1-16H