N-[(5-bromanylpyridin-2-yl)carbamothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

Systemtic Name: N-[(5-bromanylpyridin-2-yl)carbamothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide Openeye Name: N-[(5-bromo-2-pyridyl)carbamothioyl]-5-methyl-3-phenyl-isoxazole-4-carboxamide CAS Name: N-[[(5-bromo-2-pyridinyl)amino]-sulfanylidenemethyl]-5-methyl-3-phenyl-4-isoxazolecarboxamide IUPAC Name: N-[(5-bromopyridin-2-yl)carbamothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide Traditional Name: N-[(5-bromo-2-pyridyl)thiocarbamoyl]-5-methyl-3-phenyl-isoxazole-4-carboxamide Formula: C17H13BrN4O2S MolecularWeight: 417.27972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC(=S)NC3=NC=C(C=C3)Br

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC(=S)NC3=NC=C(C=C3)Br

InChI

InChI=1S/C17H13BrN4O2S/c1-10-14(15(22-24-10)11-5-3-2-4-6-11)16(23)21-17(25)20-13-8-7-12(18)9-19-13/h2-9H,1H3,(H2,19,20,21,23,25)