4-[3-(2,4-dinitrophenyl)sulfanylpropyl]pyridine

Systemtic Name: 4-[3-(2,4-dinitrophenyl)sulfanylpropyl]pyridine Openeye Name: 4-[3-(2,4-dinitrophenyl)sulfanylpropyl]pyridine CAS Name: 4-[3-[(2,4-dinitrophenyl)thio]propyl]pyridine IUPAC Name: 4-[3-(2,4-dinitrophenyl)sulfanylpropyl]pyridine Traditional Name: 4-[3-[(2,4-dinitrophenyl)thio]propyl]pyridine Formula: C14H13N3O4S MolecularWeight: 319.33572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SCCCC2=CC=NC=C2

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SCCCC2=CC=NC=C2

InChI

InChI=1S/C14H13N3O4S/c18-16(19)12-3-4-14(13(10-12)17(20)21)22-9-1-2-11-5-7-15-8-6-11/h3-8,10H,1-2,9H2