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

Systemtic Name: 4-[2-[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]benzenecarbonitrile Openeye Name: 4-[2-[2-(3,4-dimethylphenyl)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]benzonitrile CAS Name: 4-[2-[[2-(3,4-dimethylphenyl)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]benzonitrile IUPAC Name: 4-[2-[2-(3,4-dimethylphenyl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]benzonitrile Traditional Name: 4-[2-[[2-(3,4-dimethylphenyl)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]benzonitrile Formula: C25H19N3O2S MolecularWeight: 425.50226

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H19N3O2S/c1-16-7-10-19(13-17(16)2)23(29)15-31-25-27-22-6-4-3-5-21(22)24(30)28(25)20-11-8-18(14-26)9-12-20/h3-13H,15H2,1-2H3