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

Systemtic Name: 2-[[4-(2,6-diethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(4-fluorophenyl)ethyl]ethanamide Openeye Name: 2-[[4-(2,6-diethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide CAS Name: 2-[[4-(2,6-diethylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-[2-(4-fluorophenyl)ethyl]acetamide IUPAC Name: 2-[[4-(2,6-diethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide Traditional Name: 2-[[4-(2,6-diethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-[2-(4-fluorophenyl)ethyl]acetamide Formula: C27H28FN5OS MolecularWeight: 489.607523

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=NN=C2SCC(=O)NCCC3=CC=C(C=C3)F)C4=CN=CC=C4

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=NN=C2SCC(=O)NCCC3=CC=C(C=C3)F)C4=CN=CC=C4

InChI

InChI=1S/C27H28FN5OS/c1-3-20-7-5-8-21(4-2)25(20)33-26(22-9-6-15-29-17-22)31-32-27(33)35-18-24(34)30-16-14-19-10-12-23(28)13-11-19/h5-13,15,17H,3-4,14,16,18H2,1-2H3,(H,30,34)