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

Systemtic Name: N-(3-bromophenyl)-2-[[4-(furan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(3-bromophenyl)-2-[[4-(2-furylmethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-bromophenyl)-2-[[4-(2-furanylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-bromophenyl)-2-[[4-(furan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(3-bromophenyl)-2-[[4-(2-furfuryl)-5-(4-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(=CC(=C1)Br)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=NC=C4

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=NC=C4

InChI

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