2-pyridin-4-ylethanethiol; 2,4,6-trinitrophenol

Systemtic Name: 2-pyridin-4-ylethanethiol; 2,4,6-trinitrophenol Openeye Name: picric acid; 2-(4-pyridyl)ethanethiol CAS Name: 2-pyridin-4-ylethanethiol; 2,4,6-trinitrophenol IUPAC Name: 2-pyridin-4-ylethanethiol; 2,4,6-trinitrophenol Traditional Name: picric acid; 2-(4-pyridyl)ethanethiol Formula: C13H12N4O7S MolecularWeight: 368.32198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CCS.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CN=CC=C1CCS.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H9NS.C6H3N3O7/c9-6-3-7-1-4-8-5-2-7;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,4-5,9H,3,6H2;1-2,10H