4-[(2,4-dinitrophenyl)methylsulfanyl]pyridine-2-carbonitrile

Systemtic Name: 4-[(2,4-dinitrophenyl)methylsulfanyl]pyridine-2-carbonitrile Openeye Name: 4-[(2,4-dinitrophenyl)methylsulfanyl]pyridine-2-carbonitrile CAS Name: 4-[(2,4-dinitrophenyl)methylthio]-2-pyridinecarbonitrile IUPAC Name: 4-[(2,4-dinitrophenyl)methylsulfanyl]pyridine-2-carbonitrile Traditional Name: 4-[(2,4-dinitrobenzyl)thio]picolinonitrile Formula: C13H8N4O4S MolecularWeight: 316.29202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CSC2=CC(=NC=C2)C#N

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CSC2=CC(=NC=C2)C#N

InChI

InChI=1S/C13H8N4O4S/c14-7-10-5-12(3-4-15-10)22-8-9-1-2-11(16(18)19)6-13(9)17(20)21/h1-6H,8H2