4-chloranyl-2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]iminomethyl]-6-nitro-phenolate

Systemtic Name: 4-chloranyl-2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]iminomethyl]-6-nitro-phenolate Openeye Name: 4-chloro-2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]iminomethyl]-6-nitro-phenolate CAS Name: 4-chloro-2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)thio]phenyl]iminomethyl]-6-nitrophenolate IUPAC Name: 4-chloro-2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]iminomethyl]-6-nitrophenolate Traditional Name: 4-chloro-2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)thio]phenyl]iminomethyl]-6-nitro-phenolate Formula: C18H14ClN4O3S- MolecularWeight: 401.84676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)SC2=CC=CC=C2N=CC3=CC(=CC(=C3[O-])[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C(=NN1)C)SC2=CC=CC=C2N=CC3=CC(=CC(=C3[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C18H15ClN4O3S/c1-10-18(11(2)22-21-10)27-16-6-4-3-5-14(16)20-9-12-7-13(19)8-15(17(12)24)23(25)26/h3-9,24H,1-2H3,(H,21,22)/p-1