2-[4-(4-methyl-3-nitro-phenyl)-1,3-thiazol-2-yl]ethanenitrile

Systemtic Name: 2-[4-(4-methyl-3-nitro-phenyl)-1,3-thiazol-2-yl]ethanenitrile Openeye Name: 2-[4-(4-methyl-3-nitro-phenyl)thiazol-2-yl]acetonitrile CAS Name: 2-[4-(4-methyl-3-nitrophenyl)-2-thiazolyl]acetonitrile IUPAC Name: 2-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetonitrile Traditional Name: 2-[4-(4-methyl-3-nitro-phenyl)thiazol-2-yl]acetonitrile Formula: C12H9N3O2S MolecularWeight: 259.28376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC(=N2)CC#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC(=N2)CC#N)[N+](=O)[O-]

InChI

InChI=1S/C12H9N3O2S/c1-8-2-3-9(6-11(8)15(16)17)10-7-18-12(14-10)4-5-13/h2-3,6-7H,4H2,1H3