4-[7-chloranyl-4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanyl-2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-butanenitrile

Systemtic Name: 4-[7-chloranyl-4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanyl-2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-butanenitrile Openeye Name: 4-[7-chloro-3-(3-isopropoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-2-(4-methylthiazol-2-yl)-3-oxo-butanenitrile CAS Name: 4-[[7-chloro-4-oxo-3-(3-propan-2-yloxypropyl)-2-quinazolinyl]thio]-2-(4-methyl-2-thiazolyl)-3-oxobutanenitrile IUPAC Name: 4-[7-chloro-4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanyl-2-(4-methyl-1,3-thiazol-2-yl)-3-oxobutanenitrile Traditional Name: 4-[[7-chloro-3-(3-isopropoxypropyl)-4-keto-quinazolin-2-yl]thio]-3-keto-2-(4-methylthiazol-2-yl)butyronitrile Formula: C22H23ClN4O3S2 MolecularWeight: 491.02602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCCOC(C)C

Isomeric SMILES

CC1=CSC(=N1)C(C#N)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCCOC(C)C

InChI

InChI=1S/C22H23ClN4O3S2/c1-13(2)30-8-4-7-27-21(29)16-6-5-15(23)9-18(16)26-22(27)32-12-19(28)17(10-24)20-25-14(3)11-31-20/h5-6,9,11,13,17H,4,7-8,12H2,1-3H3