2-[[5-[4-(diethylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[5-[4-(diethylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[5-[4-(diethylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[5-[4-(diethylamino)phenyl]-1,3,4-oxadiazol-2-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[5-[4-(diethylamino)phenyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[5-[4-(diethylamino)phenyl]-1,3,4-oxadiazol-2-yl]thio]methyl]-1H-quinazolin-4-one Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C2=NN=C(O2)SCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C2=NN=C(O2)SCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H21N5O2S/c1-3-26(4-2)15-11-9-14(10-12-15)20-24-25-21(28-20)29-13-18-22-17-8-6-5-7-16(17)19(27)23-18/h5-12H,3-4,13H2,1-2H3,(H,22,23,27)