4-(4-bromanylpyrazol-1-yl)-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzamide

Systemtic Name: 4-(4-bromanylpyrazol-1-yl)-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzamide Openeye Name: 4-(4-bromopyrazol-1-yl)-N-(5-thioxo-1H-1,2,4-triazol-4-yl)benzamide CAS Name: 4-(4-bromo-1-pyrazolyl)-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzamide IUPAC Name: 4-(4-bromopyrazol-1-yl)-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzamide Traditional Name: 4-(4-bromopyrazol-1-yl)-N-(5-thioxo-1H-1,2,4-triazol-4-yl)benzamide Formula: C12H9BrN6OS MolecularWeight: 365.20846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NN2C=NNC2=S)N3C=C(C=N3)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)NN2C=NNC2=S)N3C=C(C=N3)Br

InChI

InChI=1S/C12H9BrN6OS/c13-9-5-15-18(6-9)10-3-1-8(2-4-10)11(20)17-19-7-14-16-12(19)21/h1-7H,(H,16,21)(H,17,20)