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

Systemtic Name: 2-[(4-butyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methoxyphenyl)ethanamide Openeye Name: 2-[[4-butyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide CAS Name: 2-[(4-butyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-(3-methoxyphenyl)acetamide IUPAC Name: 2-[(4-butyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide Traditional Name: 2-[[4-butyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(3-methoxyphenyl)acetamide Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)OC)C3=CC=NC=C3

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)OC)C3=CC=NC=C3

InChI

InChI=1S/C20H23N5O2S/c1-3-4-12-25-19(15-8-10-21-11-9-15)23-24-20(25)28-14-18(26)22-16-6-5-7-17(13-16)27-2/h5-11,13H,3-4,12,14H2,1-2H3,(H,22,26)