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

Systemtic Name: 1-(2,3-dihydroindol-1-yl)-2-[[4-(3-methoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-indolin-1-yl-2-[[4-(3-methoxypropyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(2,3-dihydroindol-1-yl)-2-[[4-(3-methoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(2,3-dihydroindol-1-yl)-2-[[4-(3-methoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-indolin-1-yl-2-[[4-(3-methoxypropyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=NN=C1SCC(=O)N2CCC3=CC=CC=C32)C4=CC=NC=C4

Isomeric SMILES

COCCCN1C(=NN=C1SCC(=O)N2CCC3=CC=CC=C32)C4=CC=NC=C4

InChI

InChI=1S/C21H23N5O2S/c1-28-14-4-12-26-20(17-7-10-22-11-8-17)23-24-21(26)29-15-19(27)25-13-9-16-5-2-3-6-18(16)25/h2-3,5-8,10-11H,4,9,12-15H2,1H3