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

Systemtic Name: 5-bromanyl-N-[[6-chloranyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-2-methoxy-3-methyl-benzamide Openeye Name: 5-bromo-N-[[6-chloro-2-(p-tolyl)benzotriazol-5-yl]carbamothioyl]-2-methoxy-3-methyl-benzamide CAS Name: 5-bromo-N-[[[6-chloro-2-(4-methylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-methoxy-3-methylbenzamide IUPAC Name: 5-bromo-N-[[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-2-methoxy-3-methylbenzamide Traditional Name: 5-bromo-N-[[6-chloro-2-(p-tolyl)benzotriazol-5-yl]thiocarbamoyl]-2-methoxy-3-methyl-benzamide Formula: C23H19BrClN5O2S MolecularWeight: 544.85126

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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(=C4OC)C)Br

Isomeric SMILES

CC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=S)NC(=O)C4=CC(=CC(=C4OC)C)Br

InChI

InChI=1S/C23H19BrClN5O2S/c1-12-4-6-15(7-5-12)30-28-19-10-17(25)18(11-20(19)29-30)26-23(33)27-22(31)16-9-14(24)8-13(2)21(16)32-3/h4-11H,1-3H3,(H2,26,27,31,33)