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

Systemtic Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C19H21N7OS MolecularWeight: 395.48134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C19H21N7OS/c1-14-4-2-5-15(12-14)17-22-23-19(28)26(17)13-16(27)24-8-10-25(11-9-24)18-20-6-3-7-21-18/h2-7,12H,8-11,13H2,1H3,(H,23,28)