4-[(4-bromanylpyrazol-1-yl)methyl]-N-[(3-chloranyl-5-nitro-2-oxidanyl-phenyl)carbamothioyl]benzamide

Systemtic Name: 4-[(4-bromanylpyrazol-1-yl)methyl]-N-[(3-chloranyl-5-nitro-2-oxidanyl-phenyl)carbamothioyl]benzamide Openeye Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-[(3-chloro-2-hydroxy-5-nitro-phenyl)carbamothioyl]benzamide CAS Name: 4-[(4-bromo-1-pyrazolyl)methyl]-N-[(3-chloro-2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]benzamide Traditional Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-[(3-chloro-2-hydroxy-5-nitro-phenyl)thiocarbamoyl]benzamide Formula: C18H13BrClN5O4S MolecularWeight: 510.74892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=C(C=N2)Br)C(=O)NC(=S)NC3=CC(=CC(=C3O)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CN2C=C(C=N2)Br)C(=O)NC(=S)NC3=CC(=CC(=C3O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H13BrClN5O4S/c19-12-7-21-24(9-12)8-10-1-3-11(4-2-10)17(27)23-18(30)22-15-6-13(25(28)29)5-14(20)16(15)26/h1-7,9,26H,8H2,(H2,22,23,27,30)