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

Systemtic Name: 2-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[5-morpholino-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[4-(3-methylphenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[5-morpholino-4-(m-tolyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C22H22N6O2S MolecularWeight: 434.51408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC3=NC(=O)C4=CC=CC=C4N3)N5CCOCC5

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC3=NC(=O)C4=CC=CC=C4N3)N5CCOCC5

InChI

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