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

Systemtic Name: N-(4-bromophenyl)-2-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-bromophenyl)-2-[[4-(2-furylmethyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-bromophenyl)-2-[[4-(2-furanylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-bromophenyl)-2-[[4-(2-furfuryl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H16BrN5O2S MolecularWeight: 470.34234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16BrN5O2S/c21-15-5-7-16(8-6-15)23-18(27)13-29-20-25-24-19(14-3-1-9-22-11-14)26(20)12-17-4-2-10-28-17/h1-11H,12-13H2,(H,23,27)