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

Systemtic Name: 2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C11H9N5O2S MolecularWeight: 275.28646

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC#N)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=C1SCC#N)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H9N5O2S/c1-15-10(13-14-11(15)19-6-5-12)8-3-2-4-9(7-8)16(17)18/h2-4,7H,6H2,1H3