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

Systemtic Name: 2-[4-methyl-5-[(4-nitrophenyl)diazenyl]-1,3-thiazol-2-yl]ethanenitrile Openeye Name: 2-[4-methyl-5-(4-nitrophenyl)azo-thiazol-2-yl]acetonitrile CAS Name: 2-[4-methyl-5-(4-nitrophenyl)azo-2-thiazolyl]acetonitrile IUPAC Name: 2-[4-methyl-5-[(4-nitrophenyl)diazenyl]-1,3-thiazol-2-yl]acetonitrile Traditional Name: 2-[4-methyl-5-(4-nitrophenyl)azo-thiazol-2-yl]acetonitrile Formula: C12H9N5O2S MolecularWeight: 287.29716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)CC#N)N=NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)CC#N)N=NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H9N5O2S/c1-8-12(20-11(14-8)6-7-13)16-15-9-2-4-10(5-3-9)17(18)19/h2-5H,6H2,1H3