(2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-(2-methylquinazolin-4-yl)sulfanyl-3-oxidanylidene-butanenitrile

Systemtic Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-(2-methylquinazolin-4-yl)sulfanyl-3-oxidanylidene-butanenitrile Openeye Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-(2-methylquinazolin-4-yl)sulfanyl-3-oxo-butanenitrile CAS Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-[(2-methyl-4-quinazolinyl)thio]-3-oxobutanenitrile IUPAC Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-(2-methylquinazolin-4-yl)sulfanyl-3-oxobutanenitrile Traditional Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-keto-4-[(2-methylquinazolin-4-yl)thio]butyronitrile Formula: C20H14N4OS2 MolecularWeight: 390.48136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)C(=C3NC4=CC=CC=C4S3)C#N

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)/C(=C/3\NC4=CC=CC=C4S3)/C#N

InChI

InChI=1S/C20H14N4OS2/c1-12-22-15-7-3-2-6-13(15)19(23-12)26-11-17(25)14(10-21)20-24-16-8-4-5-9-18(16)27-20/h2-9,24H,11H2,1H3/b20-14+