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

Systemtic Name: 5-bromanyl-2-chloranyl-N-[[6-chloranyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-chloro-N-[[6-chloro-2-(p-tolyl)benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: 5-bromo-2-chloro-N-[[[6-chloro-2-(4-methylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-chloro-N-[[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-chloro-N-[[6-chloro-2-(p-tolyl)benzotriazol-5-yl]thiocarbamoyl]benzamide Formula: C21H14BrCl2N5OS MolecularWeight: 535.24376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=S)NC(=O)C4=C(C=CC(=C4)Br)Cl

Isomeric SMILES

CC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=S)NC(=O)C4=C(C=CC(=C4)Br)Cl

InChI

InChI=1S/C21H14BrCl2N5OS/c1-11-2-5-13(6-3-11)29-27-18-9-16(24)17(10-19(18)28-29)25-21(31)26-20(30)14-8-12(22)4-7-15(14)23/h2-10H,1H3,(H2,25,26,30,31)