N-(4-bromanyl-2,6-dimethyl-phenyl)-2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-bromanyl-2,6-dimethyl-phenyl)-2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-bromo-2,6-dimethyl-phenyl)-2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-bromo-2,6-dimethylphenyl)-2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-bromo-2,6-dimethylphenyl)-2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-bromo-2,6-dimethyl-phenyl)-2-[(5-phenyl-4-p-phenetyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C26H25BrN4O2S MolecularWeight: 537.4713

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=C(C=C3C)Br)C)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=C(C=C3C)Br)C)C4=CC=CC=C4

InChI

InChI=1S/C26H25BrN4O2S/c1-4-33-22-12-10-21(11-13-22)31-25(19-8-6-5-7-9-19)29-30-26(31)34-16-23(32)28-24-17(2)14-20(27)15-18(24)3/h5-15H,4,16H2,1-3H3,(H,28,32)