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

Systemtic Name: 5-bromanyl-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-bromo-furan-2-carboxamide CAS Name: 5-bromo-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-bromofuran-2-carboxamide Traditional Name: N-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]-5-bromo-2-furamide Formula: C15H13BrN4O2S MolecularWeight: 393.25832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=O)C2=CC=C(O2)Br)SCC3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1NC(=O)C2=CC=C(O2)Br)SCC3=CC=CC=C3

InChI

InChI=1S/C15H13BrN4O2S/c1-10-17-18-15(23-9-11-5-3-2-4-6-11)20(10)19-14(21)12-7-8-13(16)22-12/h2-8H,9H2,1H3,(H,19,21)