2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethanenitrile

Systemtic Name: 2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethanenitrile Openeye Name: 2-[4-(4-nitrophenyl)thiazol-2-yl]acetonitrile CAS Name: 2-[4-(4-nitrophenyl)-2-thiazolyl]acetonitrile IUPAC Name: 2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetonitrile Traditional Name: 2-[4-(4-nitrophenyl)thiazol-2-yl]acetonitrile Formula: C11H7N3O2S MolecularWeight: 245.25718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CSC(=N2)CC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=CSC(=N2)CC#N)[N+](=O)[O-]

InChI

InChI=1S/C11H7N3O2S/c12-6-5-11-13-10(7-17-11)8-1-3-9(4-2-8)14(15)16/h1-4,7H,5H2