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

Systemtic Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-3-oxidanylidene-pentanenitrile Openeye Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-(3-butyl-4-oxo-quinazolin-2-yl)sulfanyl-3-oxo-pentanenitrile CAS Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-[(3-butyl-4-oxo-2-quinazolinyl)thio]-3-oxopentanenitrile IUPAC Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-3-oxopentanenitrile Traditional Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-[(3-butyl-4-keto-quinazolin-2-yl)thio]-3-keto-valeronitrile Formula: C24H22N4O2S2 MolecularWeight: 462.58708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)C(=C3NC4=CC=CC=C4S3)C#N

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)/C(=C/3\NC4=CC=CC=C4S3)/C#N

InChI

InChI=1S/C24H22N4O2S2/c1-3-4-13-28-23(30)16-9-5-6-10-18(16)27-24(28)31-15(2)21(29)17(14-25)22-26-19-11-7-8-12-20(19)32-22/h5-12,15,26H,3-4,13H2,1-2H3/b22-17+