4-[(4-bromanylpyrazol-1-yl)methyl]-N-[(5-bromanylpyridin-2-yl)carbamothioyl]benzamide

Systemtic Name: 4-[(4-bromanylpyrazol-1-yl)methyl]-N-[(5-bromanylpyridin-2-yl)carbamothioyl]benzamide Openeye Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-[(5-bromo-2-pyridyl)carbamothioyl]benzamide CAS Name: 4-[(4-bromo-1-pyrazolyl)methyl]-N-[[(5-bromo-2-pyridinyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-[(5-bromopyridin-2-yl)carbamothioyl]benzamide Traditional Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-[(5-bromo-2-pyridyl)thiocarbamoyl]benzamide Formula: C17H13Br2N5OS MolecularWeight: 495.19102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=C(C=N2)Br)C(=O)NC(=S)NC3=NC=C(C=C3)Br

Isomeric SMILES

C1=CC(=CC=C1CN2C=C(C=N2)Br)C(=O)NC(=S)NC3=NC=C(C=C3)Br

InChI

InChI=1S/C17H13Br2N5OS/c18-13-5-6-15(20-7-13)22-17(26)23-16(25)12-3-1-11(2-4-12)9-24-10-14(19)8-21-24/h1-8,10H,9H2,(H2,20,22,23,25,26)