4-[[5-(4-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(4-ethanoylphenyl)benzamide

Systemtic Name: 4-[[5-(4-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(4-ethanoylphenyl)benzamide Openeye Name: 4-[[5-(4-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(4-acetylphenyl)benzamide CAS Name: 4-[[[5-(4-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-N-(4-acetylphenyl)benzamide IUPAC Name: 4-[[5-(4-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(4-acetylphenyl)benzamide Traditional Name: 4-[[[5-(4-acetamidophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-N-(4-acetylphenyl)benzamide Formula: C27H25N5O3S MolecularWeight: 499.5841

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NN=C(N3C)C4=CC=C(C=C4)NC(=O)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NN=C(N3C)C4=CC=C(C=C4)NC(=O)C

InChI

InChI=1S/C27H25N5O3S/c1-17(33)20-8-12-24(13-9-20)29-26(35)22-6-4-19(5-7-22)16-36-27-31-30-25(32(27)3)21-10-14-23(15-11-21)28-18(2)34/h4-15H,16H2,1-3H3,(H,28,34)(H,29,35)