1-(4-ethanoylpiperazin-1-yl)-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanone

Systemtic Name: 1-(4-ethanoylpiperazin-1-yl)-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanone Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]ethanone CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanone Traditional Name: 1-(4-acetylpiperazino)-2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]ethanone Formula: C17H21N5O2S MolecularWeight: 359.44594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)N3CCN(CC3)C(=O)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C17H21N5O2S/c1-12-4-3-5-14(10-12)16-18-19-17(25)22(16)11-15(24)21-8-6-20(7-9-21)13(2)23/h3-5,10H,6-9,11H2,1-2H3,(H,19,25)