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

Systemtic Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-4-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-pentanenitrile Openeye Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-3-oxo-pentanenitrile CAS Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]-3-oxopentanenitrile IUPAC Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-3-oxopentanenitrile Traditional Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]-3-keto-valeronitrile Formula: C23H20N4O3S2 MolecularWeight: 464.5599

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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)N3CCCO

Isomeric SMILES

CC(C(=O)/C(=C/1\NC2=CC=CC=C2S1)/C#N)SC3=NC4=CC=CC=C4C(=O)N3CCCO

InChI

InChI=1S/C23H20N4O3S2/c1-14(20(29)16(13-24)21-25-18-9-4-5-10-19(18)32-21)31-23-26-17-8-3-2-7-15(17)22(30)27(23)11-6-12-28/h2-5,7-10,14,25,28H,6,11-12H2,1H3/b21-16+