2-methylsulfanyl-3-nitro-1-(phenylmethyl)pyrrole

Systemtic Name: 2-methylsulfanyl-3-nitro-1-(phenylmethyl)pyrrole Openeye Name: 1-benzyl-2-methylsulfanyl-3-nitro-pyrrole CAS Name: 2-(methylthio)-3-nitro-1-(phenylmethyl)pyrrole IUPAC Name: 1-benzyl-2-methylsulfanyl-3-nitropyrrole Traditional Name: 1-benzyl-2-(methylthio)-3-nitro-pyrrole Formula: C12H12N2O2S MolecularWeight: 248.30088

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CN1CC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=CN1CC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H12N2O2S/c1-17-12-11(14(15)16)7-8-13(12)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3