5-bromanyl-2-chloranyl-N-[[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-chloranyl-N-[[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-chloro-N-[[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: 5-bromo-2-chloro-N-[[[2-(4-fluorophenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-chloro-N-[[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-chloro-N-[[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]benzamide Formula: C21H14BrClFN5OS MolecularWeight: 518.789163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14BrClFN5OS/c1-11-8-18-19(28-29(27-18)14-5-3-13(24)4-6-14)10-17(11)25-21(31)26-20(30)15-9-12(22)2-7-16(15)23/h2-10H,1H3,(H2,25,26,30,31)