N-(3-acetamidophenyl)-2-[[5-[(1-methylpyrrol-2-yl)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(3-acetamidophenyl)-2-[[5-[(1-methylpyrrol-2-yl)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(3-acetamidophenyl)-2-[[5-[(1-methylpyrrol-2-yl)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-acetamidophenyl)-2-[[5-[(1-methyl-2-pyrrolyl)methyl]-4-phenethyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-acetamidophenyl)-2-[[5-[(1-methylpyrrol-2-yl)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(3-acetamidophenyl)-2-[[5-[(1-methylpyrrol-2-yl)methyl]-4-phenethyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C26H28N6O2S MolecularWeight: 488.60452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)CC4=CC=CN4C

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)CC4=CC=CN4C

InChI

InChI=1S/C26H28N6O2S/c1-19(33)27-21-10-6-11-22(16-21)28-25(34)18-35-26-30-29-24(17-23-12-7-14-31(23)2)32(26)15-13-20-8-4-3-5-9-20/h3-12,14,16H,13,15,17-18H2,1-2H3,(H,27,33)(H,28,34)