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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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