4-nitro-2-(prop-2-enylcarbamothioylamino)phenolate

Systemtic Name: 4-nitro-2-(prop-2-enylcarbamothioylamino)phenolate Openeye Name: 2-(allylcarbamothioylamino)-4-nitro-phenolate CAS Name: 4-nitro-2-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]phenolate IUPAC Name: 4-nitro-2-(prop-2-enylcarbamothioylamino)phenolate Traditional Name: 2-(allylthiocarbamoylamino)-4-nitro-phenolate Formula: C10H10N3O3S- MolecularWeight: 252.2697

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11N3O3S/c1-2-5-11-10(17)12-8-6-7(13(15)16)3-4-9(8)14/h2-4,6,14H,1,5H2,(H2,11,12,17)/p-1