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

Systemtic Name: 4-[(4-bromanylpyrazol-1-yl)methyl]-N-[(2-hydroxyphenyl)carbamothioyl]benzamide Openeye Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-[(2-hydroxyphenyl)carbamothioyl]benzamide CAS Name: 4-[(4-bromo-1-pyrazolyl)methyl]-N-[(2-hydroxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-[(2-hydroxyphenyl)carbamothioyl]benzamide Traditional Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-[(2-hydroxyphenyl)thiocarbamoyl]benzamide Formula: C18H15BrN4O2S MolecularWeight: 431.3063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=S)NC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Br)O

Isomeric SMILES

C1=CC=C(C(=C1)NC(=S)NC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Br)O

InChI

InChI=1S/C18H15BrN4O2S/c19-14-9-20-23(11-14)10-12-5-7-13(8-6-12)17(25)22-18(26)21-15-3-1-2-4-16(15)24/h1-9,11,24H,10H2,(H2,21,22,25,26)