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

Systemtic Name: 2-[4-(4-chloranyl-3-nitro-phenyl)-1,3-thiazol-2-yl]ethanenitrile Openeye Name: 2-[4-(4-chloro-3-nitro-phenyl)thiazol-2-yl]acetonitrile CAS Name: 2-[4-(4-chloro-3-nitrophenyl)-2-thiazolyl]acetonitrile IUPAC Name: 2-[4-(4-chloro-3-nitrophenyl)-1,3-thiazol-2-yl]acetonitrile Traditional Name: 2-[4-(4-chloro-3-nitro-phenyl)thiazol-2-yl]acetonitrile Formula: C11H6ClN3O2S MolecularWeight: 279.70224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H6ClN3O2S/c12-8-2-1-7(5-10(8)15(16)17)9-6-18-11(14-9)3-4-13/h1-2,5-6H,3H2