(4R)-2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(2-methylquinazolin-4-yl)sulfanyl-3-oxidanylidene-pentanenitrile

Systemtic Name: (4R)-2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(2-methylquinazolin-4-yl)sulfanyl-3-oxidanylidene-pentanenitrile Openeye Name: (4R)-2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(2-methylquinazolin-4-yl)sulfanyl-3-oxo-pentanenitrile CAS Name: (4R)-2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(2-methyl-4-quinazolinyl)thio]-3-oxopentanenitrile IUPAC Name: (4R)-2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(2-methylquinazolin-4-yl)sulfanyl-3-oxopentanenitrile Traditional Name: (4R)-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-[(2-methylquinazolin-4-yl)thio]valeronitrile Formula: C21H17N5OS MolecularWeight: 387.45758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)SC(C)C(=O)C(=C3NC4=CC=CC=C4N3)C#N

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)S[C@H](C)C(=O)C(=C3NC4=CC=CC=C4N3)C#N

InChI

InChI=1S/C21H17N5OS/c1-12(28-21-14-7-3-4-8-16(14)23-13(2)24-21)19(27)15(11-22)20-25-17-9-5-6-10-18(17)26-20/h3-10,12,25-26H,1-2H3/t12-/m1/s1