2-[4-(bromomethyl)phenyl]sulfanyl-5-nitro-pyridine

Systemtic Name: 2-[4-(bromomethyl)phenyl]sulfanyl-5-nitro-pyridine Openeye Name: 2-[4-(bromomethyl)phenyl]sulfanyl-5-nitro-pyridine CAS Name: 2-[[4-(bromomethyl)phenyl]thio]-5-nitropyridine IUPAC Name: 2-[4-(bromomethyl)phenyl]sulfanyl-5-nitropyridine Traditional Name: 2-[[4-(bromomethyl)phenyl]thio]-5-nitro-pyridine Formula: C12H9BrN2O2S MolecularWeight: 325.18106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CBr)SC2=NC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CBr)SC2=NC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H9BrN2O2S/c13-7-9-1-4-11(5-2-9)18-12-6-3-10(8-14-12)15(16)17/h1-6,8H,7H2