2-(3-bromophenyl)-N-(1,2,4-triazol-4-ylcarbamothioyl)quinoline-4-carboxamide

Systemtic Name: 2-(3-bromophenyl)-N-(1,2,4-triazol-4-ylcarbamothioyl)quinoline-4-carboxamide Openeye Name: 2-(3-bromophenyl)-N-(1,2,4-triazol-4-ylcarbamothioyl)quinoline-4-carboxamide CAS Name: 2-(3-bromophenyl)-N-[sulfanylidene-(1,2,4-triazol-4-ylamino)methyl]-4-quinolinecarboxamide IUPAC Name: 2-(3-bromophenyl)-N-(1,2,4-triazol-4-ylcarbamothioyl)quinoline-4-carboxamide Traditional Name: 2-(3-bromophenyl)-N-(1,2,4-triazol-4-ylthiocarbamoyl)cinchoninamide Formula: C19H13BrN6OS MolecularWeight: 453.31512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC(=CC=C3)Br)C(=O)NC(=S)NN4C=NN=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC(=CC=C3)Br)C(=O)NC(=S)NN4C=NN=C4

InChI

InChI=1S/C19H13BrN6OS/c20-13-5-3-4-12(8-13)17-9-15(14-6-1-2-7-16(14)23-17)18(27)24-19(28)25-26-10-21-22-11-26/h1-11H,(H2,24,25,27,28)