2-(4-chlorophenyl)-N-[[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]ethanamide

Systemtic Name: 2-(4-chlorophenyl)-N-[[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]ethanamide Openeye Name: 2-(4-chlorophenyl)-N-[[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]acetamide CAS Name: 2-(4-chlorophenyl)-N-[[[2-(4-fluorophenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-chlorophenyl)-N-[[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]acetamide Traditional Name: 2-(4-chlorophenyl)-N-[[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]acetamide Formula: C22H17ClFN5OS MolecularWeight: 453.919683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)CC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)CC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H17ClFN5OS/c1-13-10-19-20(28-29(27-19)17-8-6-16(24)7-9-17)12-18(13)25-22(31)26-21(30)11-14-2-4-15(23)5-3-14/h2-10,12H,11H2,1H3,(H2,25,26,30,31)