4-[4-(1,3-dithiolan-2-yl)phenoxy]-3-nitro-N'-oxidanyl-benzenecarboximidamide

Systemtic Name: 4-[4-(1,3-dithiolan-2-yl)phenoxy]-3-nitro-N'-oxidanyl-benzenecarboximidamide Openeye Name: 4-[4-(1,3-dithiolan-2-yl)phenoxy]-N'-hydroxy-3-nitro-benzamidine CAS Name: 4-[4-(1,3-dithiolan-2-yl)phenoxy]-N'-hydroxy-3-nitrobenzenecarboximidamide IUPAC Name: 4-[4-(1,3-dithiolan-2-yl)phenoxy]-N'-hydroxy-3-nitrobenzenecarboximidamide Traditional Name: 4-[4-(1,3-dithiolan-2-yl)phenoxy]-N'-hydroxy-3-nitro-benzamidine Formula: C16H15N3O4S2 MolecularWeight: 377.438

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=C(C=C2)OC3=C(C=C(C=C3)C(=NO)N)[N+](=O)[O-]

Isomeric SMILES

C1CSC(S1)C2=CC=C(C=C2)OC3=C(C=C(C=C3)/C(=N/O)/N)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O4S2/c17-15(18-20)11-3-6-14(13(9-11)19(21)22)23-12-4-1-10(2-5-12)16-24-7-8-25-16/h1-6,9,16,20H,7-8H2,(H2,17,18)