2-[[[5-(3,4-dimethylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl-ethyl-amino]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[[5-(3,4-dimethylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl-ethyl-amino]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[[5-(3,4-dimethylphenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl-ethyl-amino]methyl]-1H-quinazolin-4-one CAS Name: 2-[[[5-(3,4-dimethylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl-ethylamino]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[[5-(3,4-dimethylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl-ethylamino]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[[5-(3,4-dimethylphenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl-ethyl-amino]methyl]-1H-quinazolin-4-one Formula: C22H23N5O2S MolecularWeight: 421.51532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=NC(=O)C2=CC=CC=C2N1)CN3C(=S)OC(=N3)C4=CC(=C(C=C4)C)C

Isomeric SMILES

CCN(CC1=NC(=O)C2=CC=CC=C2N1)CN3C(=S)OC(=N3)C4=CC(=C(C=C4)C)C

InChI

InChI=1S/C22H23N5O2S/c1-4-26(12-19-23-18-8-6-5-7-17(18)20(28)24-19)13-27-22(30)29-21(25-27)16-10-9-14(2)15(3)11-16/h5-11H,4,12-13H2,1-3H3,(H,23,24,28)