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

Systemtic Name: 3-bromanyl-N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]benzamide Openeye Name: 3-bromo-N-[[2-(p-tolyl)benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[[2-(4-methylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]benzamide Traditional Name: 3-bromo-N-[[2-(p-tolyl)benzotriazol-5-yl]thiocarbamoyl]benzamide Formula: C21H16BrN5OS MolecularWeight: 466.35364

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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=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrN5OS/c1-13-5-8-17(9-6-13)27-25-18-10-7-16(12-19(18)26-27)23-21(29)24-20(28)14-3-2-4-15(22)11-14/h2-12H,1H3,(H2,23,24,28,29)