5-[(4-chloranylpyrazol-1-yl)methyl]-N-[(2-iodanylphenyl)carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-[(4-chloranylpyrazol-1-yl)methyl]-N-[(2-iodanylphenyl)carbamothioyl]furan-2-carboxamide Openeye Name: 5-[(4-chloropyrazol-1-yl)methyl]-N-[(2-iodophenyl)carbamothioyl]furan-2-carboxamide CAS Name: 5-[(4-chloro-1-pyrazolyl)methyl]-N-[(2-iodoanilino)-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-[(4-chloropyrazol-1-yl)methyl]-N-[(2-iodophenyl)carbamothioyl]furan-2-carboxamide Traditional Name: 5-[(4-chloropyrazol-1-yl)methyl]-N-[(2-iodophenyl)thiocarbamoyl]-2-furamide Formula: C16H12ClIN4O2S MolecularWeight: 486.71455

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=S)NC(=O)C2=CC=C(O2)CN3C=C(C=N3)Cl)I

Isomeric SMILES

C1=CC=C(C(=C1)NC(=S)NC(=O)C2=CC=C(O2)CN3C=C(C=N3)Cl)I

InChI

InChI=1S/C16H12ClIN4O2S/c17-10-7-19-22(8-10)9-11-5-6-14(24-11)15(23)21-16(25)20-13-4-2-1-3-12(13)18/h1-8H,9H2,(H2,20,21,23,25)