3-[2-(4-morpholin-4-ylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-pyridin-3-yl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-(4-morpholin-4-ylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-pyridin-3-yl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(4-morpholinophenyl)-2-oxo-ethyl]sulfanyl-4-(3-pyridyl)-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-[4-(4-morpholinyl)phenyl]-2-oxoethyl]thio]-4-(3-pyridinyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]sulfanyl-4-pyridin-3-yl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-keto-2-(4-morpholinophenyl)ethyl]thio]-4-(3-pyridyl)-1H-1,2,4-triazol-5-one Formula: C19H19N5O3S MolecularWeight: 397.45086

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)C(=O)CSC3=NNC(=O)N3C4=CN=CC=C4

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)C(=O)CSC3=NNC(=O)N3C4=CN=CC=C4

InChI

InChI=1S/C19H19N5O3S/c25-17(14-3-5-15(6-4-14)23-8-10-27-11-9-23)13-28-19-22-21-18(26)24(19)16-2-1-7-20-12-16/h1-7,12H,8-11,13H2,(H,21,26)