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

Systemtic Name: 2-[[4-(2-methoxyethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[[4-(2-methoxyethyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[[4-(2-methoxyethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[[4-(2-methoxyethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[[4-(2-methoxyethyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(4-phenylpiperazino)ethanone Formula: C22H26N6O2S MolecularWeight: 438.54584

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

COCCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C22H26N6O2S/c1-30-15-14-28-21(18-6-5-9-23-16-18)24-25-22(28)31-17-20(29)27-12-10-26(11-13-27)19-7-3-2-4-8-19/h2-9,16H,10-15,17H2,1H3