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

Systemtic Name: 5-(4-bromophenyl)-N-[[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]carbamothioyl]furan-2-carboxamide Openeye Name: N-[(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-5-(4-bromophenyl)furan-2-carboxamide CAS Name: 5-(4-bromophenyl)-N-[[[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-5-(4-bromophenyl)furan-2-carboxamide Traditional Name: N-[[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]-5-(4-bromophenyl)-2-furamide Formula: C22H18BrN5O2S2 MolecularWeight: 528.44462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Br)SCC4=CC=CC=C4

Isomeric SMILES

CC1=NN=C(N1NC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Br)SCC4=CC=CC=C4

InChI

InChI=1S/C22H18BrN5O2S2/c1-14-25-26-22(32-13-15-5-3-2-4-6-15)28(14)27-21(31)24-20(29)19-12-11-18(30-19)16-7-9-17(23)10-8-16/h2-12H,13H2,1H3,(H2,24,27,29,31)