5-(bromomethyl)-2-(4-nitrophenyl)sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 5-(bromomethyl)-2-(4-nitrophenyl)sulfanyl-pyridine-3-carbonitrile Openeye Name: 5-(bromomethyl)-2-(4-nitrophenyl)sulfanyl-pyridine-3-carbonitrile CAS Name: 5-(bromomethyl)-2-[(4-nitrophenyl)thio]-3-pyridinecarbonitrile IUPAC Name: 5-(bromomethyl)-2-(4-nitrophenyl)sulfanylpyridine-3-carbonitrile Traditional Name: 5-(bromomethyl)-2-[(4-nitrophenyl)thio]nicotinonitrile Formula: C13H8BrN3O2S MolecularWeight: 350.19052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])SC2=NC=C(C=C2C#N)CBr

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])SC2=NC=C(C=C2C#N)CBr

InChI

InChI=1S/C13H8BrN3O2S/c14-6-9-5-10(7-15)13(16-8-9)20-12-3-1-11(2-4-12)17(18)19/h1-5,8H,6H2