2-[(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)ethanamide

Systemtic Name: 2-[(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-[[4-phenethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-[(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-[(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: N-mesityl-2-[[4-phenethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C26H27N5OS MolecularWeight: 457.59048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=NC=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=NC=C4)C

InChI

InChI=1S/C26H27N5OS/c1-18-15-19(2)24(20(3)16-18)28-23(32)17-33-26-30-29-25(22-9-12-27-13-10-22)31(26)14-11-21-7-5-4-6-8-21/h4-10,12-13,15-16H,11,14,17H2,1-3H3,(H,28,32)