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

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

C1COCCN1C2=NN=C(N2CC3=CC=CC=C3)SCC4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

C1COCCN1C2=NN=C(N2CC3=CC=CC=C3)SCC4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C22H22N6O2S/c29-20-17-8-4-5-9-18(17)23-19(24-20)15-31-22-26-25-21(27-10-12-30-13-11-27)28(22)14-16-6-2-1-3-7-16/h1-9H,10-15H2,(H,23,24,29)