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

Systemtic Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-4-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-pentanenitrile Openeye Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-4-(4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-pentanenitrile CAS Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-4-[(4-oxo-3-propyl-2-quinazolinyl)thio]pentanenitrile IUPAC Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-4-(4-oxo-3-propylquinazolin-2-yl)sulfanylpentanenitrile Traditional Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-keto-4-[(4-keto-3-propyl-quinazolin-2-yl)thio]valeronitrile Formula: C23H20N4O2S2 MolecularWeight: 448.5605

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)C(=C3NC4=CC=CC=C4S3)C#N

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)/C(=C/3\NC4=CC=CC=C4S3)/C#N

InChI

InChI=1S/C23H20N4O2S2/c1-3-12-27-22(29)15-8-4-5-9-17(15)26-23(27)30-14(2)20(28)16(13-24)21-25-18-10-6-7-11-19(18)31-21/h4-11,14,25H,3,12H2,1-2H3/b21-16+