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

Systemtic Name: N-(2,6-diethylphenyl)-2-[(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2,6-diethylphenyl)-2-[[4-phenethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2,6-diethylphenyl)-2-[(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2,6-diethylphenyl)-2-[(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2,6-diethylphenyl)-2-[[4-phenethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C27H29N5OS MolecularWeight: 471.61706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C27H29N5OS/c1-3-21-11-8-12-22(4-2)25(21)29-24(33)19-34-27-31-30-26(23-13-16-28-17-14-23)32(27)18-15-20-9-6-5-7-10-20/h5-14,16-17H,3-4,15,18-19H2,1-2H3,(H,29,33)