2-[[(Z)-(3-methyl-1-phenyl-5-sulfanylidene-pyrazol-4-ylidene)methyl]amino]-4-nitro-phenolate

Systemtic Name: 2-[[(Z)-(3-methyl-1-phenyl-5-sulfanylidene-pyrazol-4-ylidene)methyl]amino]-4-nitro-phenolate Openeye Name: 2-[[(Z)-(3-methyl-1-phenyl-5-thioxo-pyrazol-4-ylidene)methyl]amino]-4-nitro-phenolate CAS Name: 2-[[(Z)-(3-methyl-1-phenyl-5-sulfanylidene-4-pyrazolylidene)methyl]amino]-4-nitrophenolate IUPAC Name: 2-[[(Z)-(3-methyl-1-phenyl-5-sulfanylidenepyrazol-4-ylidene)methyl]amino]-4-nitrophenolate Traditional Name: 2-[[(Z)-(3-methyl-1-phenyl-5-thioxo-2-pyrazolin-4-ylidene)methyl]amino]-4-nitro-phenolate Formula: C17H13N4O3S- MolecularWeight: 353.37512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)C1=CNC2=C(C=CC(=C2)[N+](=O)[O-])[O-])C3=CC=CC=C3

Isomeric SMILES

CC\1=NN(C(=S)/C1=C\NC2=C(C=CC(=C2)[N+](=O)[O-])[O-])C3=CC=CC=C3

InChI

InChI=1S/C17H14N4O3S/c1-11-14(17(25)20(19-11)12-5-3-2-4-6-12)10-18-15-9-13(21(23)24)7-8-16(15)22/h2-10,18,22H,1H3/p-1/b14-10-