2-[1-(2-nitrophenyl)pyrrol-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[1-(2-nitrophenyl)pyrrol-2-yl]sulfanylethanenitrile Openeye Name: 2-[1-(2-nitrophenyl)pyrrol-2-yl]sulfanylacetonitrile CAS Name: 2-[[1-(2-nitrophenyl)-2-pyrrolyl]thio]acetonitrile IUPAC Name: 2-[1-(2-nitrophenyl)pyrrol-2-yl]sulfanylacetonitrile Traditional Name: 2-[[1-(2-nitrophenyl)pyrrol-2-yl]thio]acetonitrile Formula: C12H9N3O2S MolecularWeight: 259.28376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N2C=CC=C2SCC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)N2C=CC=C2SCC#N)[N+](=O)[O-]

InChI

InChI=1S/C12H9N3O2S/c13-7-9-18-12-6-3-8-14(12)10-4-1-2-5-11(10)15(16)17/h1-6,8H,9H2