5-(4-bromophenyl)-N-[[3-ethyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(4-bromophenyl)-N-[[3-ethyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]carbamothioyl]furan-2-carboxamide Openeye Name: N-[(3-benzylsulfanyl-5-ethyl-1,2,4-triazol-4-yl)carbamothioyl]-5-(4-bromophenyl)furan-2-carboxamide CAS Name: 5-(4-bromophenyl)-N-[[[3-ethyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[(3-benzylsulfanyl-5-ethyl-1,2,4-triazol-4-yl)carbamothioyl]-5-(4-bromophenyl)furan-2-carboxamide Traditional Name: N-[[3-(benzylthio)-5-ethyl-1,2,4-triazol-4-yl]thiocarbamoyl]-5-(4-bromophenyl)-2-furamide Formula: C23H20BrN5O2S2 MolecularWeight: 542.4712

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1NC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Br)SCC4=CC=CC=C4

Isomeric SMILES

CCC1=NN=C(N1NC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Br)SCC4=CC=CC=C4

InChI

InChI=1S/C23H20BrN5O2S2/c1-2-20-26-27-23(33-14-15-6-4-3-5-7-15)29(20)28-22(32)25-21(30)19-13-12-18(31-19)16-8-10-17(24)11-9-16/h3-13H,2,14H2,1H3,(H2,25,28,30,32)