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

Systemtic Name: 7-chloranyl-2-[[4-(2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 7-chloro-2-[[5-morpholino-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 7-chloro-2-[[[4-(2-methylphenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 7-chloro-2-[[4-(2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 7-chloro-2-[[[5-morpholino-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C22H21ClN6O2S MolecularWeight: 468.95914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)N5CCOCC5

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)N5CCOCC5

InChI

InChI=1S/C22H21ClN6O2S/c1-14-4-2-3-5-18(14)29-21(28-8-10-31-11-9-28)26-27-22(29)32-13-19-24-17-12-15(23)6-7-16(17)20(30)25-19/h2-7,12H,8-11,13H2,1H3,(H,24,25,30)