N-(5-bromanyl-3-nitro-pyridin-2-yl)-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-(5-bromanyl-3-nitro-pyridin-2-yl)-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-(5-bromo-3-nitro-2-pyridyl)acetamide CAS Name: N-(5-bromo-3-nitro-2-pyridinyl)-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-(5-bromo-3-nitropyridin-2-yl)acetamide Traditional Name: 2-(benzylthio)-N-(5-bromo-3-nitro-2-pyridyl)acetamide Formula: C14H12BrN3O3S MolecularWeight: 382.23238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(=O)NC2=NC=C(C=C2[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C(C=C1)CSCC(=O)NC2=NC=C(C=C2[N+](=O)[O-])Br

InChI

InChI=1S/C14H12BrN3O3S/c15-11-6-12(18(20)21)14(16-7-11)17-13(19)9-22-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,16,17,19)