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

Systemtic Name: 2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(4-pentylphenyl)ethanamide Openeye Name: N-(4-pentylphenyl)-2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: 2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(4-pentylphenyl)acetamide IUPAC Name: 2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(4-pentylphenyl)acetamide Traditional Name: N-(4-amylphenyl)-2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)NC(=O)CN2C(=NNC2=S)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NC(=O)CN2C(=NNC2=S)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H26N4OS/c1-3-4-5-6-17-9-13-19(14-10-17)23-20(27)15-26-21(24-25-22(26)28)18-11-7-16(2)8-12-18/h7-14H,3-6,15H2,1-2H3,(H,23,27)(H,25,28)