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

Systemtic Name: N-[(2-bromophenyl)carbamothioyl]-5-[(4-chloranylpyrazol-1-yl)methyl]furan-2-carboxamide Openeye Name: N-[(2-bromophenyl)carbamothioyl]-5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxamide CAS Name: N-[(2-bromoanilino)-sulfanylidenemethyl]-5-[(4-chloro-1-pyrazolyl)methyl]-2-furancarboxamide IUPAC Name: N-[(2-bromophenyl)carbamothioyl]-5-[(4-chloropyrazol-1-yl)methyl]furan-2-carboxamide Traditional Name: N-[(2-bromophenyl)thiocarbamoyl]-5-[(4-chloropyrazol-1-yl)methyl]-2-furamide Formula: C16H12BrClN4O2S MolecularWeight: 439.71408

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrClN4O2S/c17-12-3-1-2-4-13(12)20-16(25)21-15(23)14-6-5-11(24-14)9-22-8-10(18)7-19-22/h1-8H,9H2,(H2,20,21,23,25)