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

Systemtic Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-1-[4-(2-pyrimidyl)piperazino]propan-1-one Formula: C20H23N7OS MolecularWeight: 409.50792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H23N7OS/c1-15-3-5-16(6-4-15)18-23-24-20(29)27(18)10-7-17(28)25-11-13-26(14-12-25)19-21-8-2-9-22-19/h2-6,8-9H,7,10-14H2,1H3,(H,24,29)