5-(4-bromophenyl)-N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(4-bromophenyl)-N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]furan-2-carboxamide Openeye Name: 5-(4-bromophenyl)-N-[(6-chloro-2-phenyl-benzotriazol-5-yl)carbamothioyl]furan-2-carboxamide CAS Name: 5-(4-bromophenyl)-N-[[(6-chloro-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(4-bromophenyl)-N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]furan-2-carboxamide Traditional Name: 5-(4-bromophenyl)-N-[(6-chloro-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]-2-furamide Formula: C24H15BrClN5O2S MolecularWeight: 552.8302

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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=C(O4)C5=CC=C(C=C5)Br

Isomeric SMILES

C1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=S)NC(=O)C4=CC=C(O4)C5=CC=C(C=C5)Br

InChI

InChI=1S/C24H15BrClN5O2S/c25-15-8-6-14(7-9-15)21-10-11-22(33-21)23(32)28-24(34)27-18-13-20-19(12-17(18)26)29-31(30-20)16-4-2-1-3-5-16/h1-13H,(H2,27,28,32,34)