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

Systemtic Name: 5-[(4-chloranylpyrazol-1-yl)methyl]-N-[(4-ethoxy-2-nitro-phenyl)carbamothioyl]furan-2-carboxamide Openeye Name: 5-[(4-chloropyrazol-1-yl)methyl]-N-[(4-ethoxy-2-nitro-phenyl)carbamothioyl]furan-2-carboxamide CAS Name: 5-[(4-chloro-1-pyrazolyl)methyl]-N-[(4-ethoxy-2-nitroanilino)-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-[(4-chloropyrazol-1-yl)methyl]-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]furan-2-carboxamide Traditional Name: 5-[(4-chloropyrazol-1-yl)methyl]-N-[(4-ethoxy-2-nitro-phenyl)thiocarbamoyl]-2-furamide Formula: C18H16ClN5O5S MolecularWeight: 449.86814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC=C(O2)CN3C=C(C=N3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC=C(O2)CN3C=C(C=N3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H16ClN5O5S/c1-2-28-12-3-5-14(15(7-12)24(26)27)21-18(30)22-17(25)16-6-4-13(29-16)10-23-9-11(19)8-20-23/h3-9H,2,10H2,1H3,(H2,21,22,25,30)