N-(4-ethanoylphenyl)-2-[(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-ethanoylphenyl)-2-[(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-acetylphenyl)-2-[[4-phenethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-acetylphenyl)-2-[(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-acetylphenyl)-2-[(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-acetylphenyl)-2-[[4-phenethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C25H23N5O2S MolecularWeight: 457.54742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C25H23N5O2S/c1-18(31)20-7-9-22(10-8-20)27-23(32)17-33-25-29-28-24(21-11-14-26-15-12-21)30(25)16-13-19-5-3-2-4-6-19/h2-12,14-15H,13,16-17H2,1H3,(H,27,32)