4-[4-oxidanylidene-2-[2-oxidanylidene-2-(2,3,4,5-tetramethylphenyl)ethyl]sulfanyl-quinazolin-3-yl]benzenecarbonitrile

Systemtic Name: 4-[4-oxidanylidene-2-[2-oxidanylidene-2-(2,3,4,5-tetramethylphenyl)ethyl]sulfanyl-quinazolin-3-yl]benzenecarbonitrile Openeye Name: 4-[4-oxo-2-[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl]sulfanyl-quinazolin-3-yl]benzonitrile CAS Name: 4-[4-oxo-2-[[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl]thio]-3-quinazolinyl]benzonitrile IUPAC Name: 4-[4-oxo-2-[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl]sulfanylquinazolin-3-yl]benzonitrile Traditional Name: 4-[4-keto-2-[[2-keto-2-(2,3,4,5-tetramethylphenyl)ethyl]thio]quinazolin-3-yl]benzonitrile Formula: C27H23N3O2S MolecularWeight: 453.55542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C#N)C)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C#N)C)C)C

InChI

InChI=1S/C27H23N3O2S/c1-16-13-23(19(4)18(3)17(16)2)25(31)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