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4-nitro-2-(propylcarbamothioylamino)phenolate

4-nitro-2-(propylcarbamothioylamino)phenolate

Systemtic Name:4-nitro-2-(propylcarbamothioylamino)phenolate
Openeye Name:4-nitro-2-(propylcarbamothioylamino)phenolate
CAS Name:4-nitro-2-[[propylamino(sulfanylidene)methyl]amino]phenolate
IUPAC Name:4-nitro-2-(propylcarbamothioylamino)phenolate
Traditional Name:4-nitro-2-(propylthiocarbamoylamino)phenolate
Formula: C10H12N3O3S-
MolecularWeight: 254.28558
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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])[O-]


Isomeric SMILES

CCCNC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])[O-]


InChI

InChI=1S/C10H13N3O3S/c1-2-5-11-10(17)12-8-6-7(13(15)16)3-4-9(8)14/h3-4,6,14H,2,5H2,1H3,(H2,11,12,17)/p-1


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