1-(4-phenylpiperazin-1-yl)-2-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-phenylpiperazin-1-yl)-2-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[[4-(2-isopropylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 1-(4-phenyl-1-piperazinyl)-2-[[4-(2-propan-2-ylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-phenylpiperazin-1-yl)-2-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 2-[[4-o-cumenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(4-phenylpiperazino)ethanone Formula: C28H30N6OS MolecularWeight: 498.6424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=NN=C2SCC(=O)N3CCN(CC3)C4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=NN=C2SCC(=O)N3CCN(CC3)C4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C28H30N6OS/c1-21(2)24-12-6-7-13-25(24)34-27(22-9-8-14-29-19-22)30-31-28(34)36-20-26(35)33-17-15-32(16-18-33)23-10-4-3-5-11-23/h3-14,19,21H,15-18,20H2,1-2H3