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

Systemtic Name: 8-methyl-2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 8-methyl-2-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 8-methyl-2-[[[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 8-methyl-2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 8-methyl-2-[[(5-morpholino-4-phenyl-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=CC2=C1NC(=NC2=O)CSC3=NN=C(N3C4=CC=CC=C4)N5CCOCC5

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NN=C(N3C4=CC=CC=C4)N5CCOCC5

InChI

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