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

Systemtic Name: 6-chloranyl-2-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 6-chloro-2-[[5-morpholino-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 6-chloro-2-[[[4-(3-methylphenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 6-chloro-2-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 6-chloro-2-[[[5-morpholino-4-(m-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=C1)N2C(=NN=C2SCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl)N5CCOCC5

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl)N5CCOCC5

InChI

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