1-(4-fluorophenyl)-N-(2-methylsulfanylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

Systemtic Name: 1-(4-fluorophenyl)-N-(2-methylsulfanylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide Openeye Name: 1-(4-fluorophenyl)-N-(2-methylsulfanylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide CAS Name: 1-(4-fluorophenyl)-N-[2-(methylthio)phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide IUPAC Name: 1-(4-fluorophenyl)-N-(2-methylsulfanylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide Traditional Name: 1-(4-fluorophenyl)-N-[2-(methylthio)phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide Formula: C21H20FN3OS MolecularWeight: 381.466403

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)C2=NN(C3=C2CCCC3)C4=CC=C(C=C4)F

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)C2=NN(C3=C2CCCC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H20FN3OS/c1-27-19-9-5-3-7-17(19)23-21(26)20-16-6-2-4-8-18(16)25(24-20)15-12-10-14(22)11-13-15/h3,5,7,9-13H,2,4,6,8H2,1H3,(H,23,26)