2-[1-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[1-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[1-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[1-[[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]thio]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[1-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[1-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)thio]ethyl]-1H-quinazolin-4-one Formula: C22H22N6O2S MolecularWeight: 434.51408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NN=C(N3C4=CC=CC=C4)N5CCOCC5

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NN=C(N3C4=CC=CC=C4)N5CCOCC5

InChI

InChI=1S/C22H22N6O2S/c1-15(19-23-18-10-6-5-9-17(18)20(29)24-19)31-22-26-25-21(27-11-13-30-14-12-27)28(22)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3,(H,23,24,29)