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

Systemtic Name: 2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(3-phenylprop-2-ynyl)ethanamide Openeye Name: N-(3-phenylprop-2-ynyl)-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-(3-phenylprop-2-ynyl)acetamide IUPAC Name: 2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(3-phenylprop-2-ynyl)acetamide Traditional Name: N-(3-phenylprop-2-ynyl)-2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C20H18N4OS MolecularWeight: 362.44812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)NCC#CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)NCC#CC3=CC=CC=C3

InChI

InChI=1S/C20H18N4OS/c1-15-9-11-17(12-10-15)19-22-23-20(26)24(19)14-18(25)21-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12H,13-14H2,1H3,(H,21,25)(H,23,26)