N-(4-bromophenyl)-2-[[4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-bromophenyl)-2-[[4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-bromophenyl)-2-[[4-(2-furylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-bromophenyl)-2-[[4-(2-furanylmethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-[[4-(furan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-bromophenyl)-2-[[4-(2-furfuryl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H17BrN4O2S MolecularWeight: 469.35428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)NC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)NC4=CC=C(C=C4)Br

InChI

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