1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-[4-(4-methoxyphenyl)-1-piperazinyl]-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-[4-(4-methoxyphenyl)piperazino]-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C23H28N6O2S MolecularWeight: 452.57242

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC)C4=CC=NC=C4

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC)C4=CC=NC=C4

InChI

InChI=1S/C23H28N6O2S/c1-3-12-29-22(18-8-10-24-11-9-18)25-26-23(29)32-17-21(30)28-15-13-27(14-16-28)19-4-6-20(31-2)7-5-19/h4-11H,3,12-17H2,1-2H3