2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-4-(4-phenylazanylquinazolin-2-yl)sulfanyl-butanenitrile

Systemtic Name: 2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-4-(4-phenylazanylquinazolin-2-yl)sulfanyl-butanenitrile Openeye Name: 4-(4-anilinoquinazolin-2-yl)sulfanyl-2-(4-methylthiazol-2-yl)-3-oxo-butanenitrile CAS Name: 4-[(4-anilino-2-quinazolinyl)thio]-2-(4-methyl-2-thiazolyl)-3-oxobutanenitrile IUPAC Name: 4-(4-anilinoquinazolin-2-yl)sulfanyl-2-(4-methyl-1,3-thiazol-2-yl)-3-oxobutanenitrile Traditional Name: 4-[(4-anilinoquinazolin-2-yl)thio]-3-keto-2-(4-methylthiazol-2-yl)butyronitrile Formula: C22H17N5OS2 MolecularWeight: 431.53328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC=CC=C4

Isomeric SMILES

CC1=CSC(=N1)C(C#N)C(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC=CC=C4

InChI

InChI=1S/C22H17N5OS2/c1-14-12-29-21(24-14)17(11-23)19(28)13-30-22-26-18-10-6-5-9-16(18)20(27-22)25-15-7-3-2-4-8-15/h2-10,12,17H,13H2,1H3,(H,25,26,27)