4,4-dimethyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-pentanenitrile

Systemtic Name: 4,4-dimethyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-pentanenitrile Openeye Name: 4,4-dimethyl-2-[4-(3-nitrophenyl)thiazol-2-yl]-3-oxo-pentanenitrile CAS Name: 4,4-dimethyl-2-[4-(3-nitrophenyl)-2-thiazolyl]-3-oxopentanenitrile IUPAC Name: 4,4-dimethyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-oxopentanenitrile Traditional Name: 3-keto-4,4-dimethyl-2-[4-(3-nitrophenyl)thiazol-2-yl]valeronitrile Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(C#N)C1=NC(=CS1)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)C(C#N)C1=NC(=CS1)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O3S/c1-16(2,3)14(20)12(8-17)15-18-13(9-23-15)10-5-4-6-11(7-10)19(21)22/h4-7,9,12H,1-3H3