3-bromanyl-N-[3-(furan-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzamide

Systemtic Name: 3-bromanyl-N-[3-(furan-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzamide Openeye Name: 3-bromo-N-[3-(2-furyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzamide CAS Name: 3-bromo-N-[3-(2-furanyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzamide IUPAC Name: 3-bromo-N-[3-(furan-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzamide Traditional Name: 3-bromo-N-[3-(2-furyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzamide Formula: C13H9BrN4O2S MolecularWeight: 365.20516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C(=O)NN2C(=NNC2=S)C3=CC=CO3

Isomeric SMILES

C1=CC(=CC(=C1)Br)C(=O)NN2C(=NNC2=S)C3=CC=CO3

InChI

InChI=1S/C13H9BrN4O2S/c14-9-4-1-3-8(7-9)12(19)17-18-11(15-16-13(18)21)10-5-2-6-20-10/h1-7H,(H,16,21)(H,17,19)