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

Systemtic Name: 1-morpholin-4-yl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-morpholino-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-morpholinyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-morpholin-4-yl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-morpholino-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C13H15N5O2S MolecularWeight: 305.3555

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CSC2=NNC(=N2)C3=CC=NC=C3

Isomeric SMILES

C1COCCN1C(=O)CSC2=NNC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C13H15N5O2S/c19-11(18-5-7-20-8-6-18)9-21-13-15-12(16-17-13)10-1-3-14-4-2-10/h1-4H,5-9H2,(H,15,16,17)