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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2=NN(C3=C2CCCC3)C4=CC=C(C=C4)F

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2=NN(C3=C2CCCC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H20FN3OS/c1-27-17-6-4-5-15(13-17)23-21(26)20-18-7-2-3-8-19(18)25(24-20)16-11-9-14(22)10-12-16/h4-6,9-13H,2-3,7-8H2,1H3,(H,23,26)