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

Systemtic Name: 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone CAS Name: 1-[4-(2-hydroxyethyl)-1-piperazinyl]-2-[[4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-[4-(2-hydroxyethyl)piperazino]ethanone Formula: C18H24N6O2S MolecularWeight: 388.48716

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)N2CCN(CC2)CCO)C3=CN=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)N2CCN(CC2)CCO)C3=CN=CC=C3

InChI

InChI=1S/C18H24N6O2S/c1-2-6-24-17(15-4-3-5-19-13-15)20-21-18(24)27-14-16(26)23-9-7-22(8-10-23)11-12-25/h2-5,13,25H,1,6-12,14H2