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

Systemtic Name: 2-[(4-butyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[[4-butyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(p-tolyl)acetamide CAS Name: 2-[[4-butyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[(4-butyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[[4-butyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(p-tolyl)acetamide Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C)C3=CN=CC=C3

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C)C3=CN=CC=C3

InChI

InChI=1S/C20H23N5OS/c1-3-4-12-25-19(16-6-5-11-21-13-16)23-24-20(25)27-14-18(26)22-17-9-7-15(2)8-10-17/h5-11,13H,3-4,12,14H2,1-2H3,(H,22,26)