4-nitro-2-[(prop-2-enylcarbamothioylamino)methyl]phenolate

Systemtic Name: 4-nitro-2-[(prop-2-enylcarbamothioylamino)methyl]phenolate Openeye Name: 2-[(allylcarbamothioylamino)methyl]-4-nitro-phenolate CAS Name: 4-nitro-2-[[[(prop-2-enylamino)-sulfanylidenemethyl]amino]methyl]phenolate IUPAC Name: 4-nitro-2-[(prop-2-enylcarbamothioylamino)methyl]phenolate Traditional Name: 2-[(allylthiocarbamoylamino)methyl]-4-nitro-phenolate Formula: C11H12N3O3S- MolecularWeight: 266.29628

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NCC1=C(C=CC(=C1)[N+](=O)[O-])[O-]

Isomeric SMILES

C=CCNC(=S)NCC1=C(C=CC(=C1)[N+](=O)[O-])[O-]

InChI

InChI=1S/C11H13N3O3S/c1-2-5-12-11(18)13-7-8-6-9(14(16)17)3-4-10(8)15/h2-4,6,15H,1,5,7H2,(H2,12,13,18)/p-1