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

Systemtic Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(4-pentylphenyl)ethanamide Openeye Name: 2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(4-pentylphenyl)acetamide CAS Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(4-pentylphenyl)acetamide IUPAC Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(4-pentylphenyl)acetamide Traditional Name: N-(4-amylphenyl)-2-[3-(m-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(=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4OS/c1-3-4-5-8-17-10-12-19(13-11-17)23-20(27)15-26-21(24-25-22(26)28)18-9-6-7-16(2)14-18/h6-7,9-14H,3-5,8,15H2,1-2H3,(H,23,27)(H,25,28)