(2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-4-(2-methylquinazolin-4-yl)sulfanyl-3-oxidanylidene-butanenitrile

Systemtic Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-4-(2-methylquinazolin-4-yl)sulfanyl-3-oxidanylidene-butanenitrile Openeye Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-4-(2-methylquinazolin-4-yl)sulfanyl-3-oxo-butanenitrile CAS Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-4-[(2-methyl-4-quinazolinyl)thio]-3-oxobutanenitrile IUPAC Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-4-(2-methylquinazolin-4-yl)sulfanyl-3-oxobutanenitrile Traditional Name: (2E)-3-keto-2-(3-methyl-1H-benzimidazol-2-ylidene)-4-[(2-methylquinazolin-4-yl)thio]butyronitrile Formula: C21H17N5OS MolecularWeight: 387.45758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)C(=C3NC4=CC=CC=C4N3C)C#N

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)/C(=C/3\NC4=CC=CC=C4N3C)/C#N

InChI

InChI=1S/C21H17N5OS/c1-13-23-16-8-4-3-7-14(16)21(24-13)28-12-19(27)15(11-22)20-25-17-9-5-6-10-18(17)26(20)2/h3-10,25H,12H2,1-2H3/b20-15+