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

Systemtic Name: 2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-4-[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-butanenitrile Openeye Name: 2-(4-methylthiazol-2-yl)-3-oxo-4-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazolin-2-yl]sulfanyl-butanenitrile CAS Name: 2-(4-methyl-2-thiazolyl)-3-oxo-4-[[4-oxo-3-(2-oxolanylmethyl)-2-quinazolinyl]thio]butanenitrile IUPAC Name: 2-(4-methyl-1,3-thiazol-2-yl)-3-oxo-4-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylbutanenitrile Traditional Name: 3-keto-4-[[4-keto-3-(tetrahydrofurfuryl)quinazolin-2-yl]thio]-2-(4-methylthiazol-2-yl)butyronitrile Formula: C21H20N4O3S2 MolecularWeight: 440.5385

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4

Isomeric SMILES

CC1=CSC(=N1)C(C#N)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4

InChI

InChI=1S/C21H20N4O3S2/c1-13-11-29-19(23-13)16(9-22)18(26)12-30-21-24-17-7-3-2-6-15(17)20(27)25(21)10-14-5-4-8-28-14/h2-3,6-7,11,14,16H,4-5,8,10,12H2,1H3