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

Systemtic Name: 1-(2,3-dihydroindol-1-yl)-2-[[4-(3-ethoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[[4-(3-ethoxypropyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-indolin-1-yl-ethanone CAS Name: 1-(2,3-dihydroindol-1-yl)-2-[[4-(3-ethoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(2,3-dihydroindol-1-yl)-2-[[4-(3-ethoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 2-[[4-(3-ethoxypropyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-indolin-1-yl-ethanone Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=NN=C1SCC(=O)N2CCC3=CC=CC=C32)C4=CC=NC=C4

Isomeric SMILES

CCOCCCN1C(=NN=C1SCC(=O)N2CCC3=CC=CC=C32)C4=CC=NC=C4

InChI

InChI=1S/C22H25N5O2S/c1-2-29-15-5-13-27-21(18-8-11-23-12-9-18)24-25-22(27)30-16-20(28)26-14-10-17-6-3-4-7-19(17)26/h3-4,6-9,11-12H,2,5,10,13-16H2,1H3