2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methyl-1-phenyl-butyl)ethanamide

Systemtic Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methyl-1-phenyl-butyl)ethanamide Openeye Name: 2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methyl-1-phenyl-butyl)acetamide CAS Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-(3-methyl-1-phenylbutyl)acetamide IUPAC Name: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methyl-1-phenylbutyl)acetamide Traditional Name: 2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(3-methyl-1-phenyl-butyl)acetamide Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC(CC(C)C)C2=CC=CC=C2)C3=CC=NC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC(CC(C)C)C2=CC=CC=C2)C3=CC=NC=C3

InChI

InChI=1S/C22H27N5OS/c1-4-27-21(18-10-12-23-13-11-18)25-26-22(27)29-15-20(28)24-19(14-16(2)3)17-8-6-5-7-9-17/h5-13,16,19H,4,14-15H2,1-3H3,(H,24,28)