5-bromanyl-2-chloranyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-chloranyl-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide Openeye Name: 5-bromo-2-chloro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide CAS Name: 5-bromo-2-chloro-N-[[(2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-chloro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide Traditional Name: 5-bromo-2-chloro-N-[(2-phenylbenzotriazol-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=CC(=CC3=N2)NC(=S)NC(=O)C4=C(C=CC(=C4)Br)Cl

Isomeric SMILES

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

InChI

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