2-[[4-(3-ethylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(3-ethylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(3-ethylphenyl)-5-morpholino-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[4-(3-ethylphenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(3-ethylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[4-(3-ethylphenyl)-5-morpholino-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C23H24N6O2S MolecularWeight: 448.54066

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)N2C(=NN=C2SCC3=NC(=O)C4=CC=CC=C4N3)N5CCOCC5

Isomeric SMILES

CCC1=CC(=CC=C1)N2C(=NN=C2SCC3=NC(=O)C4=CC=CC=C4N3)N5CCOCC5

InChI

InChI=1S/C23H24N6O2S/c1-2-16-6-5-7-17(14-16)29-22(28-10-12-31-13-11-28)26-27-23(29)32-15-20-24-19-9-4-3-8-18(19)21(30)25-20/h3-9,14H,2,10-13,15H2,1H3,(H,24,25,30)