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

Systemtic Name: 3-bromanyl-N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]benzamide Openeye Name: 3-bromo-N-[(6-chloro-2-phenyl-benzotriazol-5-yl)carbamothioyl]benzamide CAS Name: 3-bromo-N-[[(6-chloro-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide Traditional Name: 3-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=C4)Br

Isomeric SMILES

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

InChI

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