2-bromanyl-N-(1,2,4-triazol-4-ylcarbamothioyl)benzamide

Systemtic Name: 2-bromanyl-N-(1,2,4-triazol-4-ylcarbamothioyl)benzamide Openeye Name: 2-bromo-N-(1,2,4-triazol-4-ylcarbamothioyl)benzamide CAS Name: 2-bromo-N-[sulfanylidene-(1,2,4-triazol-4-ylamino)methyl]benzamide IUPAC Name: 2-bromo-N-(1,2,4-triazol-4-ylcarbamothioyl)benzamide Traditional Name: 2-bromo-N-(1,2,4-triazol-4-ylthiocarbamoyl)benzamide Formula: C10H8BrN5OS MolecularWeight: 326.17242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(=S)NN2C=NN=C2)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC(=S)NN2C=NN=C2)Br

InChI

InChI=1S/C10H8BrN5OS/c11-8-4-2-1-3-7(8)9(17)14-10(18)15-16-5-12-13-6-16/h1-6H,(H2,14,15,17,18)