4-[(4-bromanylpyrazol-1-yl)methyl]-N-[(4-ethoxy-2-nitro-phenyl)carbamothioyl]benzamide

Systemtic Name: 4-[(4-bromanylpyrazol-1-yl)methyl]-N-[(4-ethoxy-2-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-[(4-ethoxy-2-nitro-phenyl)carbamothioyl]benzamide CAS Name: 4-[(4-bromo-1-pyrazolyl)methyl]-N-[(4-ethoxy-2-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]benzamide Traditional Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-[(4-ethoxy-2-nitro-phenyl)thiocarbamoyl]benzamide Formula: C20H18BrN5O4S MolecularWeight: 504.35702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrN5O4S/c1-2-30-16-7-8-17(18(9-16)26(28)29)23-20(31)24-19(27)14-5-3-13(4-6-14)11-25-12-15(21)10-22-25/h3-10,12H,2,11H2,1H3,(H2,23,24,27,31)