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

Systemtic Name: 4-chloranyl-2-nitro-6-[(Z)-(propan-2-ylcarbamothioylhydrazinylidene)methyl]phenolate Openeye Name: 4-chloro-2-[(Z)-(isopropylcarbamothioylhydrazono)methyl]-6-nitro-phenolate CAS Name: 4-chloro-2-nitro-6-[(Z)-[[(propan-2-ylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenolate IUPAC Name: 4-chloro-2-nitro-6-[(Z)-(propan-2-ylcarbamothioylhydrazinylidene)methyl]phenolate Traditional Name: 4-chloro-2-[(Z)-(isopropylthiocarbamoylhydrazono)methyl]-6-nitro-phenolate Formula: C11H12ClN4O3S- MolecularWeight: 315.75598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13ClN4O3S/c1-6(2)14-11(20)15-13-5-7-3-8(12)4-9(10(7)17)16(18)19/h3-6,17H,1-2H3,(H2,14,15,20)/p-1/b13-5-