(2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-(7-chloranyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-3-oxidanylidene-butanenitrile

Systemtic Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-(7-chloranyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-3-oxidanylidene-butanenitrile Openeye Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-(7-chloro-4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-3-oxo-butanenitrile CAS Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-[(7-chloro-4-oxo-3-propyl-2-quinazolinyl)thio]-3-oxobutanenitrile IUPAC Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-3-oxobutanenitrile Traditional Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-[(7-chloro-4-keto-3-propyl-quinazolin-2-yl)thio]-3-keto-butyronitrile Formula: C22H17ClN4O2S2 MolecularWeight: 468.97898

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)C(=C3NC4=CC=CC=C4S3)C#N

Isomeric SMILES

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)/C(=C/3\NC4=CC=CC=C4S3)/C#N

InChI

InChI=1S/C22H17ClN4O2S2/c1-2-9-27-21(29)14-8-7-13(23)10-17(14)26-22(27)30-12-18(28)15(11-24)20-25-16-5-3-4-6-19(16)31-20/h3-8,10,25H,2,9,12H2,1H3/b20-15+