N-[2-(1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-2-(4-chlorophenyl)quinoline-4-carboxamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-2-(4-chlorophenyl)quinoline-4-carboxamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-2-(4-chlorophenyl)quinoline-4-carboxamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]-2-(4-chlorophenyl)-4-quinolinecarboxamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-(4-chlorophenyl)quinoline-4-carboxamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-2-(4-chlorophenyl)cinchoninamide Formula: C27H18ClN5OS MolecularWeight: 495.98272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl)C5=NC6=CC=CC=C6S5

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C27H18ClN5OS/c1-16-14-25(33(32-16)27-30-22-8-4-5-9-24(22)35-27)31-26(34)20-15-23(17-10-12-18(28)13-11-17)29-21-7-3-2-6-19(20)21/h2-15H,1H3,(H,31,34)