N-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[[5-(4-bromophenyl)-2-furyl]methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[[5-(4-bromophenyl)-2-furanyl]methyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[[5-(4-bromophenyl)furan-2-yl]methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-[[5-(4-bromophenyl)-2-furyl]methyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C21H17BrN4O2S MolecularWeight: 469.35428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC=NN2)C(=O)NCC3=CC=C(O3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC=NN2)C(=O)NCC3=CC=C(O3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H17BrN4O2S/c22-17-7-5-15(6-8-17)19-10-9-18(28-19)11-23-20(27)16-3-1-14(2-4-16)12-29-21-24-13-25-26-21/h1-10,13H,11-12H2,(H,23,27)(H,24,25,26)