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

Systemtic Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-(7-chloranyl-4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-3-oxidanylidene-pentanenitrile Openeye Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-(7-chloro-3-isopropyl-4-oxo-quinazolin-2-yl)sulfanyl-3-oxo-pentanenitrile CAS Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-[(7-chloro-4-oxo-3-propan-2-yl-2-quinazolinyl)thio]-3-oxopentanenitrile IUPAC Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-3-oxopentanenitrile Traditional Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-[(7-chloro-3-isopropyl-4-keto-quinazolin-2-yl)thio]-3-keto-valeronitrile Formula: C23H19ClN4O2S2 MolecularWeight: 483.00556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)C(=C3NC4=CC=CC=C4S3)C#N

Isomeric SMILES

CC(C)N1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)/C(=C/3\NC4=CC=CC=C4S3)/C#N

InChI

InChI=1S/C23H19ClN4O2S2/c1-12(2)28-22(30)15-9-8-14(24)10-18(15)27-23(28)31-13(3)20(29)16(11-25)21-26-17-6-4-5-7-19(17)32-21/h4-10,12-13,26H,1-3H3/b21-16+