5-chloranyl-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-methyl-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 5-chloranyl-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-methyl-1-phenyl-pyrazole-4-carboxamide Openeye Name: 5-chloro-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-methyl-1-phenyl-pyrazole-4-carboxamide CAS Name: 5-chloro-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-methyl-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 5-chloro-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-methyl-1-phenylpyrazole-4-carboxamide Traditional Name: 5-chloro-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-methyl-1-phenyl-pyrazole-4-carboxamide Formula: C22H17ClN4OS MolecularWeight: 420.91458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NC2=NC3=C(S2)CCC4=CC=CC=C43)Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1C(=O)NC2=NC3=C(S2)CCC4=CC=CC=C43)Cl)C5=CC=CC=C5

InChI

InChI=1S/C22H17ClN4OS/c1-13-18(20(23)27(26-13)15-8-3-2-4-9-15)21(28)25-22-24-19-16-10-6-5-7-14(16)11-12-17(19)29-22/h2-10H,11-12H2,1H3,(H,24,25,28)