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

Systemtic Name: 4-[(2,4-dinitrophenyl)methylsulfanyl]pyridine-2-carbothioamide Openeye Name: 4-[(2,4-dinitrophenyl)methylsulfanyl]pyridine-2-carbothioamide CAS Name: 4-[(2,4-dinitrophenyl)methylthio]-2-pyridinecarbothioamide IUPAC Name: 4-[(2,4-dinitrophenyl)methylsulfanyl]pyridine-2-carbothioamide Traditional Name: 4-[(2,4-dinitrobenzyl)thio]thiopicolinamide Formula: C13H10N4O4S2 MolecularWeight: 350.3729

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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(=S)N

Isomeric SMILES

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

InChI

InChI=1S/C13H10N4O4S2/c14-13(22)11-6-10(3-4-15-11)23-7-8-1-2-9(16(18)19)5-12(8)17(20)21/h1-6H,7H2,(H2,14,22)