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

Systemtic Name: 2-[[4-(2,6-diethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-yl-ethanamide Openeye Name: 2-[[4-(2,6-diethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-isopropyl-acetamide CAS Name: 2-[[4-(2,6-diethylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-propan-2-ylacetamide IUPAC Name: 2-[[4-(2,6-diethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-ylacetamide Traditional Name: 2-[[4-(2,6-diethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-isopropyl-acetamide Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=NN=C2SCC(=O)NC(C)C)C3=CN=CC=C3

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=NN=C2SCC(=O)NC(C)C)C3=CN=CC=C3

InChI

InChI=1S/C22H27N5OS/c1-5-16-9-7-10-17(6-2)20(16)27-21(18-11-8-12-23-13-18)25-26-22(27)29-14-19(28)24-15(3)4/h7-13,15H,5-6,14H2,1-4H3,(H,24,28)