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

Systemtic Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-4-[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-butanenitrile Openeye Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazolin-2-yl]sulfanyl-butanenitrile CAS Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4-[[4-oxo-3-(2-oxolanylmethyl)-2-quinazolinyl]thio]butanenitrile IUPAC Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylbutanenitrile Traditional Name: (2Z)-3-keto-4-[[4-keto-3-(tetrahydrofurfuryl)quinazolin-2-yl]thio]-2-(3-methyl-1,3-benzothiazol-2-ylidene)butyronitrile Formula: C25H22N4O3S2 MolecularWeight: 490.59718

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=C(C#N)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC5CCCO5

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=C(/C#N)\C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC5CCCO5

InChI

InChI=1S/C25H22N4O3S2/c1-28-20-10-4-5-11-22(20)34-24(28)18(13-26)21(30)15-33-25-27-19-9-3-2-8-17(19)23(31)29(25)14-16-7-6-12-32-16/h2-5,8-11,16H,6-7,12,14-15H2,1H3/b24-18-