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

Systemtic Name: 2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-piperidin-1-ylcarbonylpiperazin-1-yl)ethanone Openeye Name: 1-[4-(piperidine-1-carbonyl)piperazin-1-yl]-2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]ethanone CAS Name: 2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-[4-[oxo(1-piperidinyl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethanone Traditional Name: 1-[4-(piperidine-1-carbonyl)piperazino]-2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]ethanone Formula: C21H28N6O2S MolecularWeight: 428.55102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)N3CCN(CC3)C(=O)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)N3CCN(CC3)C(=O)N4CCCCC4

InChI

InChI=1S/C21H28N6O2S/c1-16-5-7-17(8-6-16)19-22-23-20(30)27(19)15-18(28)24-11-13-26(14-12-24)21(29)25-9-3-2-4-10-25/h5-8H,2-4,9-15H2,1H3,(H,23,30)