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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-[[4-(4-ethoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-[[4-(4-ethoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[[4-(4-ethoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-[[4-(4-ethoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-[[4-p-phenetyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H21BrN4O2S2 MolecularWeight: 529.47244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC(=C(C=C3)Br)C)C4=CC=CS4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC(=C(C=C3)Br)C)C4=CC=CS4

InChI

InChI=1S/C23H21BrN4O2S2/c1-3-30-18-9-7-17(8-10-18)28-22(20-5-4-12-31-20)26-27-23(28)32-14-21(29)25-16-6-11-19(24)15(2)13-16/h4-13H,3,14H2,1-2H3,(H,25,29)