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

Systemtic Name: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide Openeye Name: N-[[4-allyl-5-[(4-bromophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide CAS Name: N-[[5-[(4-bromophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-2-furancarboxamide IUPAC Name: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide Traditional Name: N-[[4-allyl-5-[(4-bromobenzyl)thio]-1,2,4-triazol-3-yl]methyl]-2-furamide Formula: C18H17BrN4O2S MolecularWeight: 433.32218

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)CNC(=O)C3=CC=CO3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)CNC(=O)C3=CC=CO3

InChI

InChI=1S/C18H17BrN4O2S/c1-2-9-23-16(11-20-17(24)15-4-3-10-25-15)21-22-18(23)26-12-13-5-7-14(19)8-6-13/h2-8,10H,1,9,11-12H2,(H,20,24)