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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-[[4-(2-methoxyethyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-[[4-(2-methoxyethyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[[4-(2-methoxyethyl)-5-phenethyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-[[4-(2-methoxyethyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-[[4-(2-methoxyethyl)-5-phenethyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H25BrN4O2S MolecularWeight: 489.4285

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CSC2=NN=C(N2CCOC)CCC3=CC=CC=C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CSC2=NN=C(N2CCOC)CCC3=CC=CC=C3)Br

InChI

InChI=1S/C22H25BrN4O2S/c1-16-14-18(9-10-19(16)23)24-21(28)15-30-22-26-25-20(27(22)12-13-29-2)11-8-17-6-4-3-5-7-17/h3-7,9-10,14H,8,11-13,15H2,1-2H3,(H,24,28)