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

Systemtic Name: N-(4-ethanoylphenyl)-2-[[4-(phenylmethyl)-5-quinolin-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-acetylphenyl)-2-[[4-benzyl-5-(2-quinolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-acetylphenyl)-2-[[4-(phenylmethyl)-5-(2-quinolinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-acetylphenyl)-2-[(4-benzyl-5-quinolin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-acetylphenyl)-2-[[4-benzyl-5-(2-quinolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C28H23N5O2S MolecularWeight: 493.57952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C28H23N5O2S/c1-19(34)21-11-14-23(15-12-21)29-26(35)18-36-28-32-31-27(33(28)17-20-7-3-2-4-8-20)25-16-13-22-9-5-6-10-24(22)30-25/h2-16H,17-18H2,1H3,(H,29,35)