1-morpholin-4-yl-3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]propan-1-one

Systemtic Name: 1-morpholin-4-yl-3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]propan-1-one Openeye Name: 1-morpholino-3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]propan-1-one CAS Name: 1-(4-morpholinyl)-3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]-1-propanone IUPAC Name: 1-morpholin-4-yl-3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]propan-1-one Traditional Name: 1-morpholino-3-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]propan-1-one Formula: C15H19N4O2S+ MolecularWeight: 319.40196

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CCSC2=[N+](NC=N2)C3=CC=CC=C3

Isomeric SMILES

C1COCCN1C(=O)CCSC2=[N+](NC=N2)C3=CC=CC=C3

InChI

InChI=1S/C15H18N4O2S/c20-14(18-7-9-21-10-8-18)6-11-22-15-16-12-17-19(15)13-4-2-1-3-5-13/h1-5,12H,6-11H2/p+1