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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[[5-(2-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H17BrN4O2S MolecularWeight: 469.35428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4)Br

InChI

InChI=1S/C21H17BrN4O2S/c1-14-12-15(9-10-17(14)22)23-19(27)13-29-21-25-24-20(18-8-5-11-28-18)26(21)16-6-3-2-4-7-16/h2-12H,13H2,1H3,(H,23,27)