4-[(3,5-dinitrophenyl)methylsulfanyl]pyridine-2-carbothioamide

Systemtic Name: 4-[(3,5-dinitrophenyl)methylsulfanyl]pyridine-2-carbothioamide Openeye Name: 4-[(3,5-dinitrophenyl)methylsulfanyl]pyridine-2-carbothioamide CAS Name: 4-[(3,5-dinitrophenyl)methylthio]-2-pyridinecarbothioamide IUPAC Name: 4-[(3,5-dinitrophenyl)methylsulfanyl]pyridine-2-carbothioamide Traditional Name: 4-[(3,5-dinitrobenzyl)thio]thiopicolinamide Formula: C13H10N4O4S2 MolecularWeight: 350.3729

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(C=C1SCC2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C(=S)N

Isomeric SMILES

C1=CN=C(C=C1SCC2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C(=S)N

InChI

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