4-(4-imidazol-1-ylthiophen-2-yl)-3-methyl-4-oxidanylidene-butanenitrile

Systemtic Name: 4-(4-imidazol-1-ylthiophen-2-yl)-3-methyl-4-oxidanylidene-butanenitrile Openeye Name: 4-(4-imidazol-1-yl-2-thienyl)-3-methyl-4-oxo-butanenitrile CAS Name: 4-[4-(1-imidazolyl)-2-thiophenyl]-3-methyl-4-oxobutanenitrile IUPAC Name: 4-(4-imidazol-1-ylthiophen-2-yl)-3-methyl-4-oxobutanenitrile Traditional Name: 4-(4-imidazol-1-yl-2-thienyl)-4-keto-3-methyl-butyronitrile Formula: C12H11N3OS MolecularWeight: 245.30024

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC#N)C(=O)C1=CC(=CS1)N2C=CN=C2

Isomeric SMILES

CC(CC#N)C(=O)C1=CC(=CS1)N2C=CN=C2

InChI

InChI=1S/C12H11N3OS/c1-9(2-3-13)12(16)11-6-10(7-17-11)15-5-4-14-8-15/h4-9H,2H2,1H3