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

Systemtic Name: 1-morpholin-4-yl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholino-ethanone CAS Name: 1-(4-morpholinyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-morpholin-4-yl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-morpholino-ethanone Formula: C16H19N5O2S MolecularWeight: 345.41936

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)N2CCOCC2)C3=CC=NC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)N2CCOCC2)C3=CC=NC=C3

InChI

InChI=1S/C16H19N5O2S/c1-2-7-21-15(13-3-5-17-6-4-13)18-19-16(21)24-12-14(22)20-8-10-23-11-9-20/h2-6H,1,7-12H2