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

Systemtic Name: 2-bromanyl-N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]benzamide Openeye Name: 2-bromo-N-[(6-chloro-2-phenyl-benzotriazol-5-yl)carbamothioyl]benzamide CAS Name: 2-bromo-N-[[(6-chloro-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide Traditional Name: 2-bromo-N-[(6-chloro-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]benzamide Formula: C20H13BrClN5OS MolecularWeight: 486.77212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=S)NC(=O)C4=CC=CC=C4Br

Isomeric SMILES

C1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=S)NC(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C20H13BrClN5OS/c21-14-9-5-4-8-13(14)19(28)24-20(29)23-16-11-18-17(10-15(16)22)25-27(26-18)12-6-2-1-3-7-12/h1-11H,(H2,23,24,28,29)