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

Systemtic Name: (2R)-4-(2-methylquinazolin-4-yl)sulfanyl-2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-butanenitrile Openeye Name: (2R)-4-(2-methylquinazolin-4-yl)sulfanyl-2-(4-methylthiazol-2-yl)-3-oxo-butanenitrile CAS Name: (2R)-4-[(2-methyl-4-quinazolinyl)thio]-2-(4-methyl-2-thiazolyl)-3-oxobutanenitrile IUPAC Name: (2R)-4-(2-methylquinazolin-4-yl)sulfanyl-2-(4-methyl-1,3-thiazol-2-yl)-3-oxobutanenitrile Traditional Name: (2R)-3-keto-4-[(2-methylquinazolin-4-yl)thio]-2-(4-methylthiazol-2-yl)butyronitrile Formula: C17H14N4OS2 MolecularWeight: 354.44926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)CSC2=NC(=NC3=CC=CC=C32)C

Isomeric SMILES

CC1=CSC(=N1)[C@H](C#N)C(=O)CSC2=NC(=NC3=CC=CC=C32)C

InChI

InChI=1S/C17H14N4OS2/c1-10-8-23-17(19-10)13(7-18)15(22)9-24-16-12-5-3-4-6-14(12)20-11(2)21-16/h3-6,8,13H,9H2,1-2H3/t13-/m1/s1