4-[(4-bromanylpyrazol-1-yl)methyl]-N-[(4-nitrophenyl)carbamothioyl]benzamide

Systemtic Name: 4-[(4-bromanylpyrazol-1-yl)methyl]-N-[(4-nitrophenyl)carbamothioyl]benzamide Openeye Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-[(4-nitrophenyl)carbamothioyl]benzamide CAS Name: 4-[(4-bromo-1-pyrazolyl)methyl]-N-[(4-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-[(4-nitrophenyl)carbamothioyl]benzamide Traditional Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-[(4-nitrophenyl)thiocarbamoyl]benzamide Formula: C18H14BrN5O3S MolecularWeight: 460.30446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=C(C=N2)Br)C(=O)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CN2C=C(C=N2)Br)C(=O)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14BrN5O3S/c19-14-9-20-23(11-14)10-12-1-3-13(4-2-12)17(25)22-18(28)21-15-5-7-16(8-6-15)24(26)27/h1-9,11H,10H2,(H2,21,22,25,28)