2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-4-[4-oxidanylidene-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-butanenitrile

Systemtic Name: 2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-4-[4-oxidanylidene-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-butanenitrile Openeye Name: 2-(4-methylthiazol-2-yl)-3-oxo-4-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-butanenitrile CAS Name: 2-(4-methyl-2-thiazolyl)-3-oxo-4-[[4-oxo-3-(3-phenylpropyl)-2-quinazolinyl]thio]butanenitrile IUPAC Name: 2-(4-methyl-1,3-thiazol-2-yl)-3-oxo-4-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylbutanenitrile Traditional Name: 3-keto-4-[[4-keto-3-(3-phenylpropyl)quinazolin-2-yl]thio]-2-(4-methylthiazol-2-yl)butyronitrile Formula: C25H22N4O2S2 MolecularWeight: 474.59778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC4=CC=CC=C4

Isomeric SMILES

CC1=CSC(=N1)C(C#N)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC4=CC=CC=C4

InChI

InChI=1S/C25H22N4O2S2/c1-17-15-32-23(27-17)20(14-26)22(30)16-33-25-28-21-12-6-5-11-19(21)24(31)29(25)13-7-10-18-8-3-2-4-9-18/h2-6,8-9,11-12,15,20H,7,10,13,16H2,1H3