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

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[[5-(3-methyl-1-benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[[5-(3-methylbenzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[5-(3-methyl-2-benzofuranyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[[5-(3-methyl-1-benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[[5-(3-methylbenzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C26H21BrN4O2S MolecularWeight: 533.43954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=C(C5=CC=CC=C5O4)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=C(C5=CC=CC=C5O4)C

InChI

InChI=1S/C26H21BrN4O2S/c1-16-14-18(27)12-13-21(16)28-23(32)15-34-26-30-29-25(31(26)19-8-4-3-5-9-19)24-17(2)20-10-6-7-11-22(20)33-24/h3-14H,15H2,1-2H3,(H,28,32)