N'-[(4-methylsulfanylphenyl)-oxidanyl-phosphinothioyl]-3-nitro-benzenecarboximidamide

Systemtic Name: N'-[(4-methylsulfanylphenyl)-oxidanyl-phosphinothioyl]-3-nitro-benzenecarboximidamide Openeye Name: N'-[hydroxy-(4-methylsulfanylphenyl)phosphinothioyl]-3-nitro-benzamidine CAS Name: N'-[hydroxy-[4-(methylthio)phenyl]phosphinothioyl]-3-nitrobenzenecarboximidamide IUPAC Name: N'-[hydroxy-(4-methylsulfanylphenyl)phosphinothioyl]-3-nitrobenzenecarboximidamide Traditional Name: N'-[hydroxy-[4-(methylthio)phenyl]thiophosphoryl]-3-nitro-benzamidine Formula: C14H14N3O3PS2 MolecularWeight: 367.383021

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)P(=S)(N=C(C2=CC(=CC=C2)[N+](=O)[O-])N)O

Isomeric SMILES

CSC1=CC=C(C=C1)P(=S)(/N=C(\C2=CC(=CC=C2)[N+](=O)[O-])/N)O

InChI

InChI=1S/C14H14N3O3PS2/c1-23-13-7-5-12(6-8-13)21(20,22)16-14(15)10-3-2-4-11(9-10)17(18)19/h2-9H,1H3,(H3,15,16,20,22)