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

Systemtic Name: 5-(4-bromophenyl)-N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]furan-2-carboxamide Openeye Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-5-(4-bromophenyl)furan-2-carboxamide CAS Name: 5-(4-bromophenyl)-N-[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-2-furancarboxamide IUPAC Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-5-(4-bromophenyl)furan-2-carboxamide Traditional Name: N-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]-5-(4-bromophenyl)-2-furamide Formula: C21H17BrN4O2S MolecularWeight: 469.35428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrN4O2S/c1-14-23-24-21(29-13-15-5-3-2-4-6-15)26(14)25-20(27)19-12-11-18(28-19)16-7-9-17(22)10-8-16/h2-12H,13H2,1H3,(H,25,27)