4-ethyl-N-[[2-(4-fluorophenyl)benzotriazol-5-yl]carbamothioyl]benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)F

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)F

InChI

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