4-butyl-2-methylsulfanyl-3-nitro-1H-pyrrole

Systemtic Name: 4-butyl-2-methylsulfanyl-3-nitro-1H-pyrrole Openeye Name: 4-butyl-2-methylsulfanyl-3-nitro-1H-pyrrole CAS Name: 4-butyl-2-(methylthio)-3-nitro-1H-pyrrole IUPAC Name: 4-butyl-2-methylsulfanyl-3-nitro-1H-pyrrole Traditional Name: 4-butyl-2-(methylthio)-3-nitro-1H-pyrrole Formula: C9H14N2O2S MolecularWeight: 214.28466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CNC(=C1[N+](=O)[O-])SC

Isomeric SMILES

CCCCC1=CNC(=C1[N+](=O)[O-])SC

InChI

InChI=1S/C9H14N2O2S/c1-3-4-5-7-6-10-9(14-2)8(7)11(12)13/h6,10H,3-5H2,1-2H3