(2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-4-[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-pentanenitrile

Systemtic Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-4-[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-pentanenitrile Openeye Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-4-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazolin-2-yl]sulfanyl-pentanenitrile CAS Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-4-[[4-oxo-3-(2-oxolanylmethyl)-2-quinazolinyl]thio]pentanenitrile IUPAC Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-4-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylpentanenitrile Traditional Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-keto-4-[[4-keto-3-(tetrahydrofurfuryl)quinazolin-2-yl]thio]valeronitrile Formula: C25H22N4O3S2 MolecularWeight: 490.59718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(=C1NC2=CC=CC=C2S1)C#N)SC3=NC4=CC=CC=C4C(=O)N3CC5CCCO5

Isomeric SMILES

CC(C(=O)/C(=C/1\NC2=CC=CC=C2S1)/C#N)SC3=NC4=CC=CC=C4C(=O)N3CC5CCCO5

InChI

InChI=1S/C25H22N4O3S2/c1-15(22(30)18(13-26)23-27-20-10-4-5-11-21(20)34-23)33-25-28-19-9-3-2-8-17(19)24(31)29(25)14-16-7-6-12-32-16/h2-5,8-11,15-16,27H,6-7,12,14H2,1H3/b23-18+