3-[2-(4-nitrophenyl)sulfanylimidazol-1-yl]propanenitrile

Systemtic Name: 3-[2-(4-nitrophenyl)sulfanylimidazol-1-yl]propanenitrile Openeye Name: 3-[2-(4-nitrophenyl)sulfanylimidazol-1-yl]propanenitrile CAS Name: 3-[2-[(4-nitrophenyl)thio]-1-imidazolyl]propanenitrile IUPAC Name: 3-[2-(4-nitrophenyl)sulfanylimidazol-1-yl]propanenitrile Traditional Name: 3-[2-[(4-nitrophenyl)thio]imidazol-1-yl]propionitrile Formula: C12H10N4O2S MolecularWeight: 274.2984

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])SC2=NC=CN2CCC#N

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])SC2=NC=CN2CCC#N

InChI

InChI=1S/C12H10N4O2S/c13-6-1-8-15-9-7-14-12(15)19-11-4-2-10(3-5-11)16(17)18/h2-5,7,9H,1,8H2