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

Systemtic Name: 5-bromanyl-2-methoxy-3-methyl-N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-methoxy-3-methyl-N-[[2-(p-tolyl)benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: 5-bromo-2-methoxy-3-methyl-N-[[[2-(4-methylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-3-methyl-N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-methoxy-3-methyl-N-[[2-(p-tolyl)benzotriazol-5-yl]thiocarbamoyl]benzamide Formula: C23H20BrN5O2S MolecularWeight: 510.4062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20BrN5O2S/c1-13-4-7-17(8-5-13)29-27-19-9-6-16(12-20(19)28-29)25-23(32)26-22(30)18-11-15(24)10-14(2)21(18)31-3/h4-12H,1-3H3,(H2,25,26,30,32)