2-[5-methyl-4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethanenitrile

Systemtic Name: 2-[5-methyl-4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethanenitrile Openeye Name: 2-[5-methyl-4-(3-nitrophenyl)thiazol-2-yl]acetonitrile CAS Name: 2-[5-methyl-4-(3-nitrophenyl)-2-thiazolyl]acetonitrile IUPAC Name: 2-[5-methyl-4-(3-nitrophenyl)-1,3-thiazol-2-yl]acetonitrile Traditional Name: 2-[5-methyl-4-(3-nitrophenyl)thiazol-2-yl]acetonitrile Formula: C12H9N3O2S MolecularWeight: 259.28376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)CC#N)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(N=C(S1)CC#N)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

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