2-[[5-[(4-methylphenyl)sulfonylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[[5-[(4-methylphenyl)sulfonylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: N-phenethyl-2-[[4-phenyl-5-(p-tolylsulfonylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-[(4-methylphenyl)sulfonylmethyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[5-[(4-methylphenyl)sulfonylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: N-phenethyl-2-[[4-phenyl-5-(tosylmethyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C26H26N4O3S2 MolecularWeight: 506.63964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C26H26N4O3S2/c1-20-12-14-23(15-13-20)35(32,33)19-24-28-29-26(30(24)22-10-6-3-7-11-22)34-18-25(31)27-17-16-21-8-4-2-5-9-21/h2-15H,16-19H2,1H3,(H,27,31)