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

Systemtic Name: 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-[4-(2-hydroxyethyl)-1-piperazinyl]-2-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-[4-(2-hydroxyethyl)piperazino]-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C21H24N6O2S MolecularWeight: 424.51926

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

C1CN(CCN1CCO)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C21H24N6O2S/c28-14-13-25-9-11-26(12-10-25)19(29)16-30-21-24-23-20(17-5-4-8-22-15-17)27(21)18-6-2-1-3-7-18/h1-8,15,28H,9-14,16H2