2-methoxy-6-nitro-4-[(Z)-(propan-2-ylcarbamothioylhydrazinylidene)methyl]phenolate

Systemtic Name: 2-methoxy-6-nitro-4-[(Z)-(propan-2-ylcarbamothioylhydrazinylidene)methyl]phenolate Openeye Name: 4-[(Z)-(isopropylcarbamothioylhydrazono)methyl]-2-methoxy-6-nitro-phenolate CAS Name: 2-methoxy-6-nitro-4-[(Z)-[[(propan-2-ylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenolate IUPAC Name: 2-methoxy-6-nitro-4-[(Z)-(propan-2-ylcarbamothioylhydrazinylidene)methyl]phenolate Traditional Name: 4-[(Z)-(isopropylthiocarbamoylhydrazono)methyl]-2-methoxy-6-nitro-phenolate Formula: C12H15N4O4S- MolecularWeight: 311.3369

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O4S/c1-7(2)14-12(21)15-13-6-8-4-9(16(18)19)11(17)10(5-8)20-3/h4-7,17H,1-3H3,(H2,14,15,21)/p-1/b13-6-