N-[[2-(4-ethylphenyl)benzotriazol-5-yl]carbamothioyl]-4-fluoranyl-benzamide

Systemtic Name: N-[[2-(4-ethylphenyl)benzotriazol-5-yl]carbamothioyl]-4-fluoranyl-benzamide Openeye Name: N-[[2-(4-ethylphenyl)benzotriazol-5-yl]carbamothioyl]-4-fluoro-benzamide CAS Name: N-[[[2-(4-ethylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-4-fluorobenzamide IUPAC Name: N-[[2-(4-ethylphenyl)benzotriazol-5-yl]carbamothioyl]-4-fluorobenzamide Traditional Name: N-[[2-(4-ethylphenyl)benzotriazol-5-yl]thiocarbamoyl]-4-fluoro-benzamide Formula: C22H18FN5OS MolecularWeight: 419.474623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H18FN5OS/c1-2-14-3-10-18(11-4-14)28-26-19-12-9-17(13-20(19)27-28)24-22(30)25-21(29)15-5-7-16(23)8-6-15/h3-13H,2H2,1H3,(H2,24,25,29,30)