5-(4-bromophenyl)-N-[[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(4-bromophenyl)-N-[[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-(4-bromophenyl)-N-[[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]furan-2-carboxamide CAS Name: 5-(4-bromophenyl)-N-[[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(4-bromophenyl)-N-[[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-(4-bromophenyl)-N-[[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]thiocarbamoyl]-2-furamide Formula: C22H15BrN6O2S2 MolecularWeight: 539.4275

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C2N1N=C(S2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC=C(O4)C5=CC=C(C=C5)Br

Isomeric SMILES

CC1=NN=C2N1N=C(S2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC=C(O4)C5=CC=C(C=C5)Br

InChI

InChI=1S/C22H15BrN6O2S2/c1-12-26-27-22-29(12)28-20(33-22)14-3-2-4-16(11-14)24-21(32)25-19(30)18-10-9-17(31-18)13-5-7-15(23)8-6-13/h2-11H,1H3,(H2,24,25,30,32)