2-nitro-4-[(Z)-(propan-2-ylcarbamothioylhydrazinylidene)methyl]phenolate

Systemtic Name: 2-nitro-4-[(Z)-(propan-2-ylcarbamothioylhydrazinylidene)methyl]phenolate Openeye Name: 4-[(Z)-(isopropylcarbamothioylhydrazono)methyl]-2-nitro-phenolate CAS Name: 2-nitro-4-[(Z)-[[(propan-2-ylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenolate IUPAC Name: 2-nitro-4-[(Z)-(propan-2-ylcarbamothioylhydrazinylidene)methyl]phenolate Traditional Name: 4-[(Z)-(isopropylthiocarbamoylhydrazono)methyl]-2-nitro-phenolate Formula: C11H13N4O3S- MolecularWeight: 281.31092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NN=CC1=CC(=C(C=C1)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=S)N/N=C\C1=CC(=C(C=C1)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H14N4O3S/c1-7(2)13-11(19)14-12-6-8-3-4-10(16)9(5-8)15(17)18/h3-7,16H,1-2H3,(H2,13,14,19)/p-1/b12-6-