N-[4-[(5-bromanylpyridin-3-yl)carbamothioylamino]phenyl]-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-[4-[(5-bromanylpyridin-3-yl)carbamothioylamino]phenyl]-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[4-[(5-bromo-3-pyridyl)carbamothioylamino]phenyl]thiadiazole-4-carboxamide CAS Name: N-[4-[[[(5-bromo-3-pyridinyl)amino]-sulfanylidenemethyl]amino]phenyl]-4-thiadiazolecarboxamide IUPAC Name: N-[4-[(5-bromopyridin-3-yl)carbamothioylamino]phenyl]thiadiazole-4-carboxamide Traditional Name: N-[4-[(5-bromo-3-pyridyl)thiocarbamoylamino]phenyl]thiadiazole-4-carboxamide Formula: C15H11BrN6OS2 MolecularWeight: 435.32144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=CSN=N2)NC(=S)NC3=CC(=CN=C3)Br

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=CSN=N2)NC(=S)NC3=CC(=CN=C3)Br

InChI

InChI=1S/C15H11BrN6OS2/c16-9-5-12(7-17-6-9)20-15(24)19-11-3-1-10(2-4-11)18-14(23)13-8-25-22-21-13/h1-8H,(H,18,23)(H2,19,20,24)