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

Systemtic Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone Openeye Name: 2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-[4-(4-hydroxyphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-[4-(4-hydroxyphenyl)piperazino]ethanone Formula: C22H24N6O2S MolecularWeight: 436.52996

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)O)C5=CC=NC=C5

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)O)C5=CC=NC=C5

InChI

InChI=1S/C22H24N6O2S/c29-19-5-3-17(4-6-19)26-11-13-27(14-12-26)20(30)15-31-22-25-24-21(28(22)18-1-2-18)16-7-9-23-10-8-16/h3-10,18,29H,1-2,11-15H2