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

Systemtic Name: 5-bromanyl-N-[[2-(4-butylphenyl)-6-chloranyl-benzotriazol-5-yl]carbamothioyl]-2-chloranyl-benzamide Openeye Name: 5-bromo-N-[[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]carbamothioyl]-2-chloro-benzamide CAS Name: 5-bromo-N-[[[2-(4-butylphenyl)-6-chloro-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-chlorobenzamide IUPAC Name: 5-bromo-N-[[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]carbamothioyl]-2-chlorobenzamide Traditional Name: 5-bromo-N-[[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]thiocarbamoyl]-2-chloro-benzamide Formula: C24H20BrCl2N5OS MolecularWeight: 577.3235

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=S)NC(=O)C4=C(C=CC(=C4)Br)Cl

Isomeric SMILES

CCCCC1=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/C24H20BrCl2N5OS/c1-2-3-4-14-5-8-16(9-6-14)32-30-21-12-19(27)20(13-22(21)31-32)28-24(34)29-23(33)17-11-15(25)7-10-18(17)26/h5-13H,2-4H2,1H3,(H2,28,29,33,34)