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

Systemtic Name: 2-[[4-(3-methoxypropyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[[4-(3-methoxypropyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[[4-(3-methoxypropyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[[4-(3-methoxypropyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[[4-(3-methoxypropyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(4-phenylpiperazino)ethanone Formula: C23H28N6O2S MolecularWeight: 452.57242

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

COCCCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C23H28N6O2S/c1-31-16-6-11-29-22(19-7-5-10-24-17-19)25-26-23(29)32-18-21(30)28-14-12-27(13-15-28)20-8-3-2-4-9-20/h2-5,7-10,17H,6,11-16,18H2,1H3