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

Systemtic Name: 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-pentoxyphenyl)ethanamide Openeye Name: N-(4-pentoxyphenyl)-2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(4-pentoxyphenyl)acetamide IUPAC Name: 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-pentoxyphenyl)acetamide Traditional Name: N-(4-amoxyphenyl)-2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)NC(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H26N4O2S/c1-3-4-5-14-28-19-12-10-18(11-13-19)23-20(27)15-29-22-24-21(25-26-22)17-8-6-16(2)7-9-17/h6-13H,3-5,14-15H2,1-2H3,(H,23,27)(H,24,25,26)