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

Systemtic Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(4-pentylphenyl)ethanamide Openeye Name: 2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(4-pentylphenyl)acetamide CAS Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(4-pentylphenyl)acetamide IUPAC Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(4-pentylphenyl)acetamide Traditional Name: N-(4-amylphenyl)-2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C21H23ClN4OS MolecularWeight: 414.95152

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4OS/c1-2-3-4-5-15-6-12-18(13-7-15)23-19(27)14-26-20(24-25-21(26)28)16-8-10-17(22)11-9-16/h6-13H,2-5,14H2,1H3,(H,23,27)(H,25,28)