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

Systemtic Name: 3-bromanyl-N-[[6-chloranyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]benzamide Openeye Name: 3-bromo-N-[[6-chloro-2-(p-tolyl)benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[[6-chloro-2-(4-methylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]benzamide Traditional Name: 3-bromo-N-[[6-chloro-2-(p-tolyl)benzotriazol-5-yl]thiocarbamoyl]benzamide Formula: C21H15BrClN5OS MolecularWeight: 500.7987

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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=CC(=CC=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H15BrClN5OS/c1-12-5-7-15(8-6-12)28-26-18-10-16(23)17(11-19(18)27-28)24-21(30)25-20(29)13-3-2-4-14(22)9-13/h2-11H,1H3,(H2,24,25,29,30)