2-[2-(4-chlorophenyl)sulfanylethylcarbamothioylamino]-4-nitro-phenolate

Systemtic Name: 2-[2-(4-chlorophenyl)sulfanylethylcarbamothioylamino]-4-nitro-phenolate Openeye Name: 2-[2-(4-chlorophenyl)sulfanylethylcarbamothioylamino]-4-nitro-phenolate CAS Name: 2-[[[2-[(4-chlorophenyl)thio]ethylamino]-sulfanylidenemethyl]amino]-4-nitrophenolate IUPAC Name: 2-[2-(4-chlorophenyl)sulfanylethylcarbamothioylamino]-4-nitrophenolate Traditional Name: 2-[2-[(4-chlorophenyl)thio]ethylthiocarbamoylamino]-4-nitro-phenolate Formula: C15H13ClN3O3S2- MolecularWeight: 382.86502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1SCCNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-])Cl

InChI

InChI=1S/C15H14ClN3O3S2/c16-10-1-4-12(5-2-10)24-8-7-17-15(23)18-13-9-11(19(21)22)3-6-14(13)20/h1-6,9,20H,7-8H2,(H2,17,18,23)/p-1