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

Systemtic Name: 5-[(4-chloranylpyrazol-1-yl)methyl]-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]furan-2-carboxamide Openeye Name: 5-[(4-chloropyrazol-1-yl)methyl]-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]furan-2-carboxamide CAS Name: 5-[(4-chloro-1-pyrazolyl)methyl]-N-[(2-methyl-5-nitroanilino)-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-[(4-chloropyrazol-1-yl)methyl]-N-[(2-methyl-5-nitrophenyl)carbamothioyl]furan-2-carboxamide Traditional Name: 5-[(4-chloropyrazol-1-yl)methyl]-N-[(2-methyl-5-nitro-phenyl)thiocarbamoyl]-2-furamide Formula: C17H14ClN5O4S MolecularWeight: 419.84216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC=C(O2)CN3C=C(C=N3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC=C(O2)CN3C=C(C=N3)Cl

InChI

InChI=1S/C17H14ClN5O4S/c1-10-2-3-12(23(25)26)6-14(10)20-17(28)21-16(24)15-5-4-13(27-15)9-22-8-11(18)7-19-22/h2-8H,9H2,1H3,(H2,20,21,24,28)