2-[[4-ethyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[4-ethyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-ethyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-ethyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[4-ethyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-ethyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C12H11N5O2S MolecularWeight: 289.31304

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC#N)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=NN=C1SCC#N)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H11N5O2S/c1-2-16-11(14-15-12(16)20-8-7-13)9-3-5-10(6-4-9)17(18)19/h3-6H,2,8H2,1H3