4-[2-[(3-ethanoyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]benzenecarbonitrile

Systemtic Name: 4-[2-[(3-ethanoyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]benzenecarbonitrile Openeye Name: 4-[2-[(3-acetyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]benzonitrile CAS Name: 4-[2-[(3-acetyl-2,4,6-trimethylphenyl)methylthio]-4-oxo-3-quinazolinyl]benzonitrile IUPAC Name: 4-[2-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]benzonitrile Traditional Name: 4-[2-[(3-acetyl-2,4,6-trimethyl-benzyl)thio]-4-keto-quinazolin-3-yl]benzonitrile Formula: C27H23N3O2S MolecularWeight: 453.55542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C27H23N3O2S/c1-16-13-17(2)25(19(4)31)18(3)23(16)15-33-27-29-24-8-6-5-7-22(24)26(32)30(27)21-11-9-20(14-28)10-12-21/h5-13H,15H2,1-4H3