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

Systemtic Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-4-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-pentanenitrile Openeye Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-4-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanyl-pentanenitrile CAS Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-4-[(4-oxo-3-phenyl-2-quinazolinyl)thio]pentanenitrile IUPAC Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-4-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpentanenitrile Traditional Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-keto-4-[(4-keto-3-phenyl-quinazolin-2-yl)thio]valeronitrile Formula: C26H18N4O2S2 MolecularWeight: 482.57672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(=C1NC2=CC=CC=C2S1)C#N)SC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5

Isomeric SMILES

CC(C(=O)/C(=C/1\NC2=CC=CC=C2S1)/C#N)SC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5

InChI

InChI=1S/C26H18N4O2S2/c1-16(23(31)19(15-27)24-28-21-13-7-8-14-22(21)34-24)33-26-29-20-12-6-5-11-18(20)25(32)30(26)17-9-3-2-4-10-17/h2-14,16,28H,1H3/b24-19+