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4-nitro-2-(phenethylcarbamothioylamino)phenolate

4-nitro-2-(phenethylcarbamothioylamino)phenolate

Systemtic Name:4-nitro-2-(phenethylcarbamothioylamino)phenolate
Openeye Name:4-nitro-2-(phenethylcarbamothioylamino)phenolate
CAS Name:4-nitro-2-[[(phenethylamino)-sulfanylidenemethyl]amino]phenolate
IUPAC Name:4-nitro-2-(phenethylcarbamothioylamino)phenolate
Traditional Name:4-nitro-2-(phenethylthiocarbamoylamino)phenolate
Formula: C15H14N3O3S-
MolecularWeight: 316.35496
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C15H15N3O3S/c19-14-7-6-12(18(20)21)10-13(14)17-15(22)16-9-8-11-4-2-1-3-5-11/h1-7,10,19H,8-9H2,(H2,16,17,22)/p-1


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