4-(5-imidazol-1-ylthiophen-2-yl)-3-methyl-4-oxidanylidene-butanenitrile

Systemtic Name: 4-(5-imidazol-1-ylthiophen-2-yl)-3-methyl-4-oxidanylidene-butanenitrile Openeye Name: 4-(5-imidazol-1-yl-2-thienyl)-3-methyl-4-oxo-butanenitrile CAS Name: 4-[5-(1-imidazolyl)-2-thiophenyl]-3-methyl-4-oxobutanenitrile IUPAC Name: 4-(5-imidazol-1-ylthiophen-2-yl)-3-methyl-4-oxobutanenitrile Traditional Name: 4-(5-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=C(S1)N2C=CN=C2

Isomeric SMILES

CC(CC#N)C(=O)C1=CC=C(S1)N2C=CN=C2

InChI

InChI=1S/C12H11N3OS/c1-9(4-5-13)12(16)10-2-3-11(17-10)15-7-6-14-8-15/h2-3,6-9H,4H2,1H3