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

Systemtic Name: 4-[2-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]benzenecarbonitrile Openeye Name: 4-[2-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]benzonitrile CAS Name: 4-[2-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]benzonitrile IUPAC Name: 4-[2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]benzonitrile Traditional Name: 4-[2-[[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]benzonitrile Formula: C25H19N3O4S MolecularWeight: 457.50106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C#N)OC

InChI

InChI=1S/C25H19N3O4S/c1-31-22-12-9-17(13-23(22)32-2)21(29)15-33-25-27-20-6-4-3-5-19(20)24(30)28(25)18-10-7-16(14-26)8-11-18/h3-13H,15H2,1-2H3