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

Systemtic Name: N-(4-butylphenyl)-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanamide Openeye Name: N-(4-butylphenyl)-2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: N-(4-butylphenyl)-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide IUPAC Name: N-(4-butylphenyl)-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide Traditional Name: N-(4-butylphenyl)-2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CN2C(=NNC2=S)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CN2C(=NNC2=S)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H24N4OS/c1-3-4-5-16-8-12-18(13-9-16)22-19(26)14-25-20(23-24-21(25)27)17-10-6-15(2)7-11-17/h6-13H,3-5,14H2,1-2H3,(H,22,26)(H,24,27)