N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[(6-chloro-2-phenyl-benzotriazol-5-yl)carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[(6-chloro-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[(6-chloro-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]coumarilamide Formula: C22H14ClN5O2S MolecularWeight: 447.89686

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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=CC5=CC=CC=C5O4

Isomeric SMILES

C1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=S)NC(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C22H14ClN5O2S/c23-15-11-17-18(27-28(26-17)14-7-2-1-3-8-14)12-16(15)24-22(31)25-21(29)20-10-13-6-4-5-9-19(13)30-20/h1-12H,(H2,24,25,29,31)